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Magnetic models on various topologies: A brief review is given on the study of the thermodynamic properties of spin models defined on different topologies like small-world, scale-free networks, random graphs and regular and random lattices. Ising, Potts and Blume-Capel models are considered. They are defined on complex lattices comprising Appolonian, Barab\'asi-Albert, Voronoi-Delauny and small-world networks. The main emphasis is given on the corresponding phase transitions, transition temperatures, critical exponents and universality, compared to those obtained by the same models on regular Bravais lattices.
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Quantum Monte Carlo study of ultracold gases (PhD thesis): This Dissertation presents results of a thorough study of ultracold bosonic and fermionic gases in three-dimensional and quasi-one-dimensional systems. Although the analyses are carried out within various theoretical frameworks (Gross-Pitaevskii, Bethe ansatz, local density approximation, etc.) the main tool of the study is the Quantum Monte Carlo method in different modifications (variational Monte Carlo, diffusion Monte Carlo, fixed-node Monte Carlo methods). We benchmark our Monte Carlo calculations by recovering known analytical results (perturbative theories in dilute limits, exactly solvable models, etc.) and extend calculations to regimes, where the results are so far unknown. In particular we calculate the equation of state and correlation functions for gases in various geometries and with various interatomic interactions.
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Anomalous Hall effect in van der Waals bonded ferromagnet Fe$_{3-x}$GeTe$_2$: We report anomalous Hall effect (AHE) in single crystals of quasi-two-dimensional Fe$_{3-x}$GeTe$_2$ ($x \approx 0.36$) ferromagnet grown by the flux method which induces defects on Fe site and bad metallic resistivity. Fe K-edge x-ray absorption spectroscopy was measured to provide information on local atomic environment in such crystals. The dc and ac magnetic susceptibility measurements indicate a second-stage transition below 119 K in addition to the paramagnetic to ferromagnetic transition at 153 K. A linear scaling behavior between the modified anomalous Hall resistivity $\rho_{xy}/\mu_0H_{eff}$ and longitudinal resistivity $\rho_{xx}^2M/\mu_0H_{eff}$ implies that the AHE in Fe$_{3-x}$GeTe$_2$ should be dominated by the intrinsic Karplus-Luttinger mechanism rather than the extrinsic skew-scattering and side-jump mechanisms. The observed deviation in the linear-M Hall conductivity $\sigma_{xy}^A$ below 30 K is in line with its transport characteristic at low temperatures, implying the scattering of conduction electrons due to magnetic disorder and the evolution of the Fermi surface induced by possible spin-reorientation transition.
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Measuring Dirac Cones in a Sub-Wavelength Metamaterial: The exciting discovery of bi-dimensional systems in condensed matter physics has triggered the search of their photonic analogues. In this letter, we describe a general scheme to reproduce some of the systems ruled by a tight-binding Hamiltonian in a locally resonant metamaterial: by specifically controlling the structure and the composition it is possible to engineer the band structure at will. We numerically and experimentally demonstrate this assertion in the microwave domain by reproducing the band structure of graphene, the most famous example of those 2D-systems, and by accurately extracting the Dirac cones. This is a direct evidence that opting for a crystalline description of those sub-wavelength scaled systems, as opposed to the usual description in terms of effective parameters, makes them a really convenient tabletop platform to investigate the tantalizing challenges that solid-state physics offer.
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On form-factor expansions for the XXZ chain in the massive regime: We study the large-volume-$L$ limit of form factors of the longitudinal spin operators for the XXZ spin-$1/2$ chain in the massive regime. We find that the individual form factors decay as $L^{-n}$, $n$ being an even integer counting the number of physical excitations -- the holes -- that constitute the excited state. Our expression allows us to derive the form-factor expansion of two-point spin-spin correlation functions in the thermodynamic limit $L\rightarrow +\infty$. The staggered magnetisation appears naturally as the first term in this expansion. We show that all other contributions to the two-point correlation function are exponentially small in the large-distance regime.
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Memory effects in nonlinear transport: kinetic equations and ratchet devices: We present a new method to derive kinetic equations for systems undergoing non-linear transport in the presence of memory effects. In the framework of mesoscopic nonequilibrium thermodynamics, we derive a generalized Fokker-Planck equation incorporating memory effects through time-dependent coefficients. As applications, we first discuss the non-Markovian dynamics of anomalous diffusion in a potential, analyzing the validity of the fluctuation-dissipation theorem. In a second application, we propose a new ratchet mechanism in which the periodic driving acting on the particle is induced by the Onsager coupling of the diffusion current with an oscillating thermodynamic force.
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Magnetic phase diagram and transport properties of FeGe_2: We have used resistivity measurements to study the magnetic phase diagram of the itinerant antiferromagnet FeGe_2 in the temperature range from 0.3->300 K in magnetic fields up to 16 T. In contrast to theoretical predictions, the incommensurate spin density wave phase is found to be stable at least up to 16 T, with an estimated critical field \mu _0H_c of ~ 30 T. We have also studied the low temperature magnetoresistance in the [100], [110], and [001] directions. The transverse magnetoresistance is well described by a power law for magnetic fields above 1 T with no saturation observed at high fields. We discuss our results in terms of the magnetic structure and the calculated electronic bandstructure of FeGe_2. We have also observed, for the first time in this compound, Shubnikov-de Haas oscillations in the transverse magnetoresistance with a frequency of 190 +- 10 T for a magnetic field along [001].
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Topological Valley Currents in Bilayer Graphene/Hexagonal Boron Nitride Superlattices: Graphene superlattices have recently been attracting growing interest as an emergent class of quantum metamaterials. In this paper, we report the observation of nonlocal transport in bilayer graphene (BLG) superlattices encapsulated between two hexagonal boron nitride (hBN) layers, which formed hBN/BLG/hBN moir\'e superlattices. We then employed these superlattices to detect a long-range charge-neutral valley current using an all-electrical method. The moir\'e superlattice with broken inversion symmetry leads to a hot spot with Berry curvature accumulating at the charge neutral point (CNP), and it harbors satellites of the CNP. We observed nonlocal resistance on the order of 1 $\text{k}\Omega$, which obeys a scaling relation. This nonlocal resistance evolves from the quantum Hall effect but without magnetic field/time-reversal symmetry breaking, which is associated with a hot-spot-induced topological valley current. This study should pave the way to developing a Berry-phase-sensitive probe to detect hot spots in gapped Dirac materials with inversion-symmetry breaking.
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Continuum versus discrete flux behaviour in large mesoscopic Bi(2)Sr(2)CaCu(2)O(8+delta) disks: Scanning Hall probe and local Hall magnetometry measurements have been used to investigate flux distributions in large mesoscopic superconducting disks with sizes that lie near the crossover between the bulk and mesoscopic vortex regimes. Results obtained by directly mapping the magnetic induction profiles of the disks at different applied fields can be quite successfully fitted to analytic models which assume a continuous distribution of flux in the sample. At low fields, however, we do observe clear signatures of the underlying discrete vortex structure and can resolve the characteristic mesoscopic compression of vortex clusters in increasing magnetic fields. Even at higher fields, where single vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on "local" magnetisation curves as a function of the applied field. Our observations are in excellent agreement with molecular dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviours in our system.
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Hydrogenated Amorphous Silicon Carbide: A Low-loss Deposited Dielectric for Microwave to Submillimeter Wave Superconducting Circuits: Low-loss deposited dielectrics will benefit superconducting devices such as integrated superconducting spectrometers, superconducting qubits and kinetic inductance parametric amplifiers. Compared with planar structures, multi-layer structures such as microstrips are more compact and eliminate radiation loss at high frequencies. Multi-layer structures are most easily fabricated with deposited dielectrics, which typically exhibit higher dielectric loss than crystalline dielectrics. We measured the sub-kelvin and low-power microwave and mm-submm wave dielectric loss of hydrogenated amorphous silicon carbide (a-SiC:H), using a superconducting chip with NbTiN/a-SiC:H/NbTiN microstrip resonators. We deposited the a-SiC:H by plasma-enhanced chemical vapor deposition at a substrate temperature of 400{\deg}C. The a-SiC:H has a mm-submm loss tangent ranging from $0.80 \pm 0.01 \times 10^{-4}$ to $1.43 \pm 0.04 \times 10^{-4}$ in the range of 270 to 385 GHz. The microwave loss tangent is $3.2 \pm 0.2 \times 10^{-5}$. These are the lowest low-power sub-kelvin loss tangents that have been reported for microstrip resonators at mm-submm and microwave frequencies. We observe that the loss tangent increases with frequency. The a-SiC:H films are free of blisters and have low stress: $-$20 MPa compressive at 200 nm thickness to 60 MPa tensile at 1000 nm thickness.
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Characterization of Electron Pair Velocity in YBa$_{2}$Cu$_{3}$O$_{7-\textit{$δ$}}$ Thin Films: The superconducting phase transition in YBa$_{2}$Cu$_{3}$O$_{7-\textit{$\delta $}}$(YBCO) thin film samples doped with non-superconducting nanodot impurities of CeO$_{2}$ are the focus of recent high-temperature superconductor studies. Non-superconducting holes of the superconducting lattice induce a bound-state of circulating paired electrons. This creates a magnetic flux vortex state. Examining the flow of free-electrons shows that these quantized magnetic flux vortices arrange themselves in a self-assembled lattice. The nanodots serve to present structural properties to constrict the "creep" of these flux vorticies under a field response in the form of a pinning-force enhancing the critical current density after phase transition. In this work, a model for characterizing the superconducting phase by the work done on electron pairs and chemical potential, following the well-known theories of Superconductivity (Bardeen-Cooper-Scheifer \& Ginzburg-Landau), is formulated and tested.A solution to the expression for the magnetic flux, zero net force and pair velocity will generate a setting for the optimal deposition parameters of number density, growth geometry and mass density of these nanodot structures.
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Effects of liquid fraction and contact angle on structure and coarsening in two-dimensional foams: Aqueous foams coarsen with time due to gas diffusion through the liquid. The mean bubble size grows, and small bubbles vanish. However, coarsening is little understood for foams with an intermediate liquid content, particularly in the presence of surfactant-induced attractive forces between the bubbles, measured by the contact angle. Rigorous bubble growth laws have yet to be developed, and the evolution of bulk foam properties is unclear. We present a quasi-static numerical model for coarsening in two-dimensional wet foams, focusing on growth laws and related bubble properties. The deformation of bubbles is modelled using a finite-element approach, and the gas flow through both films and Plateau borders is approximated. We give results for disordered two-dimensional wet foams with 256 to 1024 bubbles, at liquid fractions from $2\%$ to beyond the zero-contact-angle jamming transition, and with contact angles up to $10^\circ$. Simple analytical models are developed to aid interpretation. We find that nonzero contact angle causes a proxy of the initial coarsening rate to plateau at large liquid fractions, and that the individual bubble growth rates are closely related to their effective number of neighbours.
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Evolution of electronic structure of Ru-doped single-crystal iridiates, Sr$_2$Ir$_{1-x}$Ru$_x$O$_4$: We investigated Ru-doped single-crystal 5$d$ iridiates, Sr$_2$Ir$_{1-x}$Ru$_x$O$_{4}$, at three different doping concentrations ($x =$ 0.01, 0.07 and 0.10) using optical spectroscopy. The undoped pristine compound (Sr$_2$IrO$_{4}$) is known as a novel $J_{eff}$ = 1/2 Mott insulator. Remarkably, the optical conductivity spectra of all three samples exhibited the insulating behavior, although we observed weak Drude components in the optical conductivity spectra down to the lowest temperature of 30 K. The charge-carrier densities of the Ru-doped iridiates estimated from the Drude components are significantly smaller than the expected values estimated from the nominal Ru-doping concentrations. Herein, we provide temperature- and doping-dependent electronic structure evolution of Ru-doped iridiates. We expect that our results will be useful for understanding the intriguing Ru-doping-dependent properties of 5$d$ iridiate Sr$_2$IrO$_{4}$.
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Room-Temperature Superconductivity in Boron-Nitrogen Doped Lanthanum Superhydride: Recent theoretical and experimental studies of hydrogen-rich materials at megabar pressures (i.e., >100 GPa) have led to the discovery of very high-temperature superconductivity in these materials. Lanthanum superhydride LaH$_{10}$ has been of particular focus as the first material to exhibit a superconducting critical temperature (T$_c$) near room temperature. Experiments indicate that the use of ammonia borane as the hydrogen source can increase the conductivity onset temperatures of lanthanum superhydride to as high as 290 K. Here we examine the doping effects of B and N atoms on the superconductivity of LaH$_{10}$ in its fcc (Fm-3m) clathrate structure at megabar pressures. Doping at H atomic positions strengthens the H$_{32}$ cages of the structure to give higher phonon frequencies that enhance the Debye frequency and thus the calculated T$_c$. The predicted T$_c$ can reach 288 K in LaH$_{9.985}$N$_{0.015}$ within the average high-symmetry structure at 240 GPa.
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Segregated quantum phases of dipolar bosonic mixtures in two-dimensional optical lattices: We identify the quantum phases in a binary mixture of dipolar bosons in two-dimensional optical lattices. Our study is motivated by the recent experimental realization of binary dipolar condensate mixtures of Er-Dy [Phys. Rev. Lett. 121, 213601 (2018)]. We model the system by using the extended two-species Bose-Hubbard model and calculate the ground-state phase diagrams by using mean-field theory. For selected cases we also obtain analytical phase boundaries by using the site-decoupled mean-field theory. For comparison we also examine the phase diagram of two-species Bose-Hubbard model. Our results show that the quantum phases with the long-range intraspecies interaction phase separate with no phase ordering. The introduction of the long-range interspecies interaction modifies the quantum phases of the system. It leads to the emergence of phase-separated quantum phases with phase ordering. The transition from the phase-separated quantum phases without phase ordering to phase ordered ones breaks the inversion symmetry.
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Structure of inactive states of a binary Lennard-Jones mixture: We study the structure of inactive states in a prototypical model glass, the Kob-Andersen binary Lennard-Jones mixture. These inactive states are obtained by transition path sampling and are at dynamical phase coexistence with an active equilibrium state. Configurations in the inactive states are kinetically stable and are located in deeper basins of the energy landscape than their active counterparts. By analyzing trajectory-to-trajectory fluctuations within the inactive state, we assess correlations between kinetic stability, energy and other structural properties. We show that measures of local order associated to stable local packings and bond-orientational order are weakly correlated with energy and kinetic stability. We discuss what kinds of structural measurement might capture the relevant dynamical features of the inactive state.
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A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: application to goethite and jarosite: We measured the reduced partition function ratios for iron isotopes in goethite FeO(OH), potassium-jarosite KFe3(SO4)2(OH)6, and hydronium-jarosite (H3O)Fe3(SO4)2(OH)6, by Nuclear Resonant Inelastic X-Ray Scattering (NRIXS, also known as Nuclear Resonance Vibrational Spectroscopy -NRVS- or Nuclear Inelastic Scattering -NIS) at the Advanced Photon Source. These measurements were made on synthetic minerals enriched in 57Fe. A new method (i.e., the general moment approach) is presented to calculate {\beta}-factors from the moments of the NRIXS spectrum S(E). The first term in the moment expansion controls iron isotopic fractionation at high temperature and corresponds to the mean force constant of the iron bonds, a quantity that is readily measured and often reported in NRIXS studies.
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Femtosecond optical breakdown in silicon: We investigate photoinization, energy deposition, plasma formation and the ultrafast optical breakdown in crystalline silicon irradiated by intense near-infrared laser pulses with pulse duration $\tau \le $ 100 fs. The occurrence of high-intensity breakdown was established by the sudden increase of the absorbed laser energy inside the bulk, which corresponds to threshold energy fluence $\Phi_{th} > $ 1 J/cm$^2$. The optical breakdown is accompanied by severe spectral broadening of the transmitted pulse. For the studied irradiation conditions, we find that the threshold fluence increases linearly with the increase of the pulse duration, while the corresponding laser intensity threshold decreases. The effect of the high plasma density on the stability of diamond lattice is also examined. For near threshold fluences, when about 5 \% of valence electrons are promoted into the conduction band, the Si-Si bonds are softened and large Fermi degeneracy pressure arises (with pressure up to 100 kbar). The mechanical instability of the diamond lattice suggests that the large number of electron-hole pairs leads directly to ultrafast melting of the crystal structure.
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Classifying transport behavior via current fluctuations in open quantum systems: There are two standard ways of classifying transport behavior of systems. The first is via time scaling of spread of correlations in the isolated system in thermodynamic limit. The second is via system size scaling of conductance in the steady state of the open system. We show here that these correspond to taking the thermodynamic limit and the long time limit of the integrated equilibrium current-current correlations of the open system in different order. In general, the limits may not commute leading to a conflict between the two standard ways of transport classification. Nevertheless, the full information is contained in the equilibrium current-current correlations of the open system. We show this analytically by rigorously deriving the open-system current fluctuation dissipation relations (OCFDR) starting from an extremely general open quantum set-up and then carefully taking the proper limits. We test our theory numerically on the non-trivial example of the critical Aubry-Andr\'e-Harper (AAH) model, where, it has been recently shown that, the two standard classifications indeed give different results. We find that both the total current autocorrelation and the long-range local current correlations of the open system in equilibrium show signatures of diffusive transport up to a time scale. This time scale grows as square of system size. Beyond this time scale a steady state value is reached. The steady state value is conductance, which shows sub-diffusive scaling with system size.
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Wood compression in four-dimensional in situ tomography: Wood deformation, in particular when subject to compression, exhibits scale-free avalanche-like behavior as well as structure-dependent localization of deformation. We have taken three-dimensional (3D) x-ray tomographs during compression with constant stress rate loading. Using digital volume correlation, we obtain the local total strain during the experiment and compare it to the global strain and acoustic emission. The wood cells collapse layer by layer throughout the sample starting from the softest parts, i.e., the spring wood. As the damage progresses, more and more of the softwood layers throughout the sample collapse, which indicates damage spreading instead of localization. In 3D, one can see a fat-tailed local strain rate distribution, indicating that inside the softwood layers, the damage occurs in localized spots. The observed log-normal strain distribution is in agreement with this view of the development of independent local collapses or irreversible deformation events. A key feature in the mechanical behavior of wood is then in the complex interaction of localized deformation between or among the annual rings.
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Tomonaga-Luttinger liquid parameters of magnetic waveguides in graphene: Electronic waveguides in graphene formed by counterpropagating snake states in suitable inhomogeneous magnetic fields are shown to constitute a realization of a Tomonaga-Luttinger liquid. Due to the spatial separation of the right- and left-moving snake states, this non-Fermi liquid state induced by electron-electron interactions is essentially unaffected by disorder. We calculate the interaction parameters accounting for the absence of Galilei invariance in this system, and thereby demonstrate that non-Fermi liquid effects are significant and tunable in realistic geometries.
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Condensation of classical nonlinear waves: We study the formation of a large-scale coherent structure (a condensate) in classical wave equations by considering the defocusing nonlinear Schr\"odinger equation as a representative model. We formulate a thermodynamic description of the condensation process by using a wave turbulence theory with ultraviolet cut-off. In 3 dimensions the equilibrium state undergoes a phase transition for sufficiently low energy density, while no transition occurs in 2 dimensions, in analogy with standard Bose-Einstein condensation in quantum systems. Numerical simulations show that the thermodynamic limit is reached for systems with $16^3$ computational modes and greater. On the basis of a modified wave turbulence theory, we show that the nonlinear interaction makes the transition to condensation subcritical. The theory is in quantitative agreement with the simulations.
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Aging-induced continuous phase transition: Aging is considered as the property of the elements of a system to be less prone to change states as they get older. We incorporate aging into the noisy voter model, a stochastic model in which the agents modify their binary state by means of noise and pair-wise interactions. Interestingly, due to aging the system passes from a finite-size discontinuous transition between ordered (ferromagnetic) and disordered (paramagnetic) phases to a second order phase transition, well defined in the thermodynamic limit, belonging to the Ising universality class. We characterize it analytically by finding the stationary solution of an infinite set of mean field equations. The theoretical predictions are tested with extensive numerical simulations in low dimensional lattices and complex networks. We finally employ the aging properties to understand the symmetries broken in the phase transition.
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Fluctuations and scaling in creep deformation: The spatial fluctuations of deformation are studied in creep in the Andrade's power-law and the logarithmic phases, using paper samples. Measurements by the Digital Image Correlation technique show that the relative strength of the strain rate fluctuations increases with time, in both creep regimes. In the Andrade creep phase characterized by a power law decay of the strain rate $\epsilon_t \sim t^{-\theta}$, with $\theta \approx 0.7$, the fluctuations obey $\Delta \epsilon_t \sim t^{-\gamma}$, with $\gamma \approx 0.5$. The local deformation follows a data collapse appropriate for an absorbing state/depinning transition. Similar behavior is found in a crystal plasticity model, with a jamming or yielding phase transition.
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Neural Network Analytic Continuation for Monte Carlo: Improvement by Statistical Errors: This study explores the use of neural network-based analytic continuation to extract spectra from Monte Carlo data. We apply this technique to both synthetic and Monte Carlo-generated data. The training sets for neural networks are carefully synthesized without ``data leakage". We found that the training set should match the input correlation functions in terms of statistical error properties, such as noise level, noise dependence on imaginary time, and imaginary time-displaced correlations. We have developed a systematic method to synthesize such training datasets. Our improved algorithm outperform the widely used maximum entropy method in highly noisy situations. As an example, our method successfully extracted the dynamic structure factor of the spin-1/2 Heisenberg chain from quantum Monte Carlo simulations.
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The height distribution of the KPZ equation with sharp wedge initial condition: numerical evaluations: The time-dependent probability distribution function of the height for the Kardar-Parisi-Zhang equation with sharp wedge initial conditions has been obtained recently as a convolution between the Gumbel distribution and a difference of two Fredholm determinants. We evaluate numerically this distribution over the whole time span. The crossover from the short time behavior, which is Gaussian, to the long time behavior, which is governed by the GUE Tracy-Widom distribution, is clearly visible.
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Improving Electric Contacts to Two-Dimensional Semiconductors: Electrical contact resistance to two-dimensional (2D) semiconductors such as monolayer MoS_{2} is a key bottleneck in scaling the 2D field effect transistors (FETs). The 2D semiconductor in contact with three-dimensional metal creates unique current crowding that leads to increased contact resistance. We developed a model to separate the contribution of the current crowding from the intrinsic contact resistivity. We show that current crowding can be alleviated by doping and contact patterning. Using Landauer-B\"uttiker formalism, we show that van der Waals (vdW) gap at the interface will ultimately limit the electrical contact resistance. We compare our models with experimental data for doped and undoped MoS_{2} FETs. Even with heavy charge-transfer doping of > 2x10^{13} cm^{-2}, we show that the state-of-the-art contact resistance is 100 times larger than the ballistic limit. Our study highlights the need to develop efficient interface to achieve contact resistance of < 10 {\Omega}.{\mu}m, which will be ideal for extremely scaled devices.
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Monolayer MoS$_2$ Strained to 1.3\% with a Microelectromechanical System: We report on a modified transfer technique for atomically thin materials integrated onto microelectromechanical systems (MEMS) for studying strain physics and creating strain-based devices. Our method tolerates the non-planar structures and fragility of MEMS, while still providing precise positioning and crack free transfer of flakes. Further, our method used the transfer polymer to anchor the 2D crystal to the MEMS, which reduces the fabrication time, increases the yield, and allowed us to exploit the strong mechanical coupling between 2D crystal and polymer to strain the atomically thin system. We successfully strained single atomic layers of molybdenum disulfide (MoS$_2$) with MEMS devices for the first time and achieved greater than 1.3\% strain, marking a major milestone for incorporating 2D materials with MEMS We used the established strain response of MoS$_2$ Raman and Photoluminescence spectra to deduce the strain in our crystals and provide a consistency check. We found good comparison between our experiment and literature.
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Emergent Spacetime in Quantum Lattice Models: Many quantum lattice models have an emergent relativistic description in their continuum limit. The celebrated example is graphene, whose continuum limit is described by the Dirac equation on a Minkowski spacetime. Not only does the continuum limit provide us with a dictionary of geometric observables to describe the models with, but it also allows one to solve models that were otherwise analytically intractable. In this thesis, we investigate novel features of this relativistic description for a range of quantum lattice models. In particular, we demonstrate how to generate emergent curved spacetimes and identify observables at the lattice level which reveal this emergent behaviour, allowing one to simulate relativistic effects in the laboratory. We first study carbon nanotubes, a system with an edge, which allows us to test the interesting feature of the Dirac equation that it allows for bulk states with support on the edges of the system. We then study Kitaev's honeycomb model which has a continuum limit describing Majorana spinors on a Minkowski spacetime. We show how to generate a non-trivial metric in the continuum limit of this model and how to observe the effects of this metric and its corresponding curvature in the lattice observables, such as Majorana correlators, Majorana zero modes and the spin densities. We also discuss how lattice defects and $\mathbb{Z}_2$ gauge fields at the lattice level can generate chiral gauge fields in the continuum limit and we reveal their adiabatic equivalence. Finally, we discuss a chiral modification of the 1D XY model which makes the model interacting and introduces a non-trivial phase diagram. We see that this generates a black hole metric in the continuum limit, where the inside and outside of the black hole are in different phases. We then demonstrate that by quenching this model we can simulate Hawking radiation.
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Conventional Superconductivity properties of the ternary boron-nitride Nb2BN: Superconducting bulk properties of ternary Nb2 BN are confirmed and are described by means of magnetization, electronic transport and specific-heat measurements. BCS conventional super- conductivity is found with Tc = 4.4 K. Critical fields Hc1 (0)= 93 Oe and Hc2 (0)= 2082 Oe are extrapolated by magnetic and resistivity measurements. The specific heat data reveals {\gamma} = 6.3 mJ/mol K2 and {\beta} = 0.293 mJ/mol K4 in good agreement with the BCS Theory.
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Influence of electric fields on dielectric properties of GPI ferroelectric: Using modified microscopic model of GPI by taking into account the piezoelectric coupling with strains $\varepsilon_i$ in the frames of two-particle cluster approximation, the components of polarization vector and static dielectric permittivity tensor of the crystal at applying the external transverse electric fields $E_1$ and $E_3$ are calculated. An analysis of the influence of these fields on thermodynamic characteristics of GPI is carried out. A satisfactory quantitative description of the available experimental data for these characteristics has been obtained at a proper choice of the model parameters.
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Current-induced birefringent absorption and non-reciprocal plasmons in graphene: We present extensive calculations of the optical and plasmonic properties of a graphene sheet carrying a dc current. By calculating analytically the density-density response function of current-carrying states at finite temperature, we demonstrate that an applied dc current modifies the Pauli blocking mechanism and that absorption acquires a birefringent character with respect to the angle between the in-plane light polarization and current flow. Employing the random phase approximation at finite temperature, we show that graphene plasmons display a degree of non-reciprocity and collimation that can be tuned with the applied current. We discuss the possibility to measure these effects.
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Contraction and expansion effects on the substitution-defect properties of thirteen alloying elements in bcc Fe: Proposed as blanket structural materials for fusion power reactors, reduced activation ferritic/martensitic (RAFM) steel undergoes volume expanding and contracting in a cyclic mode under service environment. Particularly, being subjected to significant fluxes of fusion neutrons RAFM steel suffers considerable local volume variations in the radiation damage involved regions. It is necessary to study the structure properties of the alloying elements in contraction and expansion states. In this paper we studied local substitution structures of thirteen alloying elements Al, Co, Cr, Cu, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, and W in bcc Fe and calculated their substitutional energies in the volume variation range from -1.0% to 1.0%. From the structure relaxation results of the first five neighbor shells around the substitutional atom we find the relaxation in each neighbor shell keeps approximately uniform within the volume variation from -1.0% to 1.0% except those of Mn and the relaxation of the fifth neighbor shell is stronger than that of the third and forth, indicating that the lattice distortion due to the substitution atom is easier to spread in <111> direction than in other direction. The relaxation pattern and intensity are related to the size and electron structure of the substitutional atom. For some alloying elements, such as Mo, Nb, Ni, Ta, Ti and W, the substitutional energy decreases noticeably when the volume increases. Further analysis show that the substitutional energy comprises the energy variation originated from local structure relaxation and the chemical potential difference of the substitutional atom between its elemental crystalline state and the solid solution phase in bcc Fe. We think the approximately uniform relaxation of each neighbor shell around a substitutional atom give rise to a linear decrease in the substitutional energy with the increasing volume.
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Symmetry-enforced planar nodal chain phonons in non-symmorphic materials: Topological semimetal states which are constrained by symmetries and give birth to innovative excitations are the frontiers of topological quantum matter. Nodal chains in which two nodal rings connect at one point were first discovered in non-symmorphic electronic systems and then generalized to symmorphic phononic systems. In this work, we identify a new class of planar nodal chains in non-symmorphic phononic systems, where the connecting rings lie in the same plane. The constituting nodal rings are protected by mirror symmetry, their intersection is guaranteed by the combination of time-reversal and non-symmorphic two-fold screw symmetry. In addition, the connecting points are four-fold degenerate while those in previous works are two-fold degenerate. We searched all 230 space groups and found 8 space groups that can host the proposed planar nodal chain phonons. Taking wurtzite GaN (space group No.186) as an example, the planar nodal chain is confirmed by first-principles calculations. The planar nodal chains result in two distinct classes of drumhead surface. The first category lies on the [10(-1)0] surface Brillouin zone and the second lies on the [0001] surface Brillouin zone. Our finding reveals a class of planar nodal chains in non-symmorphic phononic systems, expands the catalog of topological nodal chains, and enriches the family of topological surface states.
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Chiral hedgehog textures in 2D XY-like ordered domains: The textures associated with a point defect centered in a circular domain of a thin film with XY-like ordering have been analyzed. The family of equilibrium textures, both stable and metastable, can be classified by a new radial topological number in addition to the winding number of the defect. Chiral textures are supported in an achiral system as a result of spontaneously broken chiral symmetry. Among these chiral textures, our theoretical analysis accurately describes two categories of recently discovered ``reversing spiral'' textures, ones that are energetically stable and metastable.
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Hall Conductivity in the presence of repulsive magnetic impurities: The Hall conductivity of disordered magnetic systems consisting of hard-core point vortices randomly dropped on the plane with a Poissonian distribution, has a behavior analogous to the one observed experimentally by R.~J.~Haug, R.~R.~Gerhardts, K.~v.~Klitzling and K.~Ploog, with repulsive scatterers \cite {1}. We also argue that models of homogeneous magnetic field with disordered potential, have necessarily vanishing Hall conductivities when their Hilbert space is restricted to a given Landau level subspace.
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Parametric statistics of the scattering matrix: From metallic to insulating quasi-unidimensional disordered systems: We investigate the statistical properties of the scattering matrix $S$ describing the electron transport through quasi-one dimensional disordered systems. For weak disorder (metallic regime), the energy dependence of the phase shifts of $S$ is found to yield the same universal parametric correlations as those characterizing chaotic Hamiltonian eigenvalues driven by an external parameter. This is analyzed within a Brownian-motion model for $S$, which is directly related to the distribution of the Wigner-Smith delay time matrix. For large disorder (localized regime), transport is dominated by resonant tunneling and the universal behavior disappears. A model based on a simplified description of the localized wave functions qualitatively explains our numerical results. In the insulator, the parametric correlation of the phase shift velocities follows the energy-dependent autocorrelator of the Wigner time. The Wigner time and the conductance are correlated in the metal and in the insulator.
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Crow instability in trapped Bose-Einstein condensates: We show theoretically that elongated vortex-antivortex dipoles can be created controllably in trapped Bose-Einstein condensates, using known experimental techniques. Vortex dipoles of sufficient length are unstable and cascade into slow vortex rings which ultimately decay via sound emission. This instability of antiparallel vortex line elements, which self-generates Kelvin waves on vortex loops and in trapped atomic gases, may play a role in bridging the Kelvin-wave and Kolmogorov-Richardson cascades of quantum turbulence.
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Devil's staircases, quantum dimer models, and stripe formation in strong coupling models of quantum frustration: We construct a two-dimensional microscopic model of interacting quantum dimers that displays an infinite number of periodic striped phases in its T=0 phase diagram. The phases form an incomplete devil's staircase and the period becomes arbitrarily large as the staircase is traversed. The Hamiltonian has purely short-range interactions, does not break any symmetries of the underlying square lattice, and is generic in that it does not involve the fine-tuning of a large number of parameters. Our model, a quantum mechanical analog of the Pokrovsky-Talapov model of fluctuating domain walls in two dimensional classical statistical mechanics, provides a mechanism by which striped phases with periods large compared to the lattice spacing can, in principle, form in frustrated quantum magnetic systems with only short-ranged interactions and no explicitly broken symmetries.
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Robustness and observability of rotating vortex-lattices in an exciton-polariton condensate: Exciton-polariton condensates display a variety of intriguing pattern-forming behaviors, particularly when confined in potential traps. It has previously been predicted that triangular lattices of vortices of the same sign will form spontaneously as the result of surface instabilities in a harmonic trap. However, natural disorder, deviation of the external potential from circular symmetry, or higher-order terms modifying the dynamical equations may all have detrimental effects and destabilize the circular trajectories of vortices. Here we address these issues, by characterizing the robustness of the vortex lattice against disorder and deformations of the trapping potential. Since most experiments use time integrated measurements it would be hard to observe directly the rotating vortex lattices or distinguish them from vortex-free states. We suggest how these difficulties can be overcome and present an experimentally viable interference-imaging scheme that would allow the detection of rotating vortex lattices.
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Measurement of the ν= 1/3 fractional quantum Hall energy gap in suspended graphene: We report on magnetotransport measurements of multi-terminal suspended graphene devices. Fully developed integer quantum Hall states appear in magnetic fields as low as 2 T. At higher fields the formation of longitudinal resistance minima and transverse resistance plateaus are seen corresponding to fractional quantum Hall states, most strongly for {\nu}= 1/3. By measuring the temperature dependence of these resistance minima, the energy gap for the 1/3 fractional state in graphene is determined to be at ~20 K at 14 T.
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Spin-controlled Mott-Hubbard bands in LaMnO_3 probed by optical ellipsometry: Spectral ellipsometry has been used to determine the dielectric function of an untwinned crystal of LaMnO_3 in the spectral range 0.5-5.6 eV at temperatures 50 K < T < 300 K. A pronounced redistribution of spectral weight is found at the Neel temperature T_N = 140 K. The anisotropy of the spectral weight transfer matches the magnetic ordering pattern. A superexchange model quantitatively describes spectral weight transfer induced by spin correlations. This analysis implies that the lowest-energy transitions around 2 eV are intersite d-d transitions, and that LaMnO_3 is a Mott-Hubbard insulator.
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First order character and observable signatures of topological quantum phase transitions: Topological quantum phase transitions are characterised by changes in global topological invariants. These invariants classify many body systems beyond the conventional paradigm of local order parameters describing spontaneous symmetry breaking. For non-interacting electrons, it is well understood that such transitions are continuous and always accompanied by a gap-closing in the energy spectrum, given that the symmetries protecting the topological phase are maintained. Here, we demonstrate that sufficiently strong electron-electron interaction can fundamentally change the situation: we discover a topological quantum phase transition of first order character in the genuine thermodynamic sense, that occurs without gap closing. Our theoretical study reveals the existence of a quantum critical endpoint associated with an orbital instability on the transition line between a 2D topological insulator and a trivial band insulator. Remarkably, this phenomenon entails unambiguous signatures associated to the orbital occupations that can be detected experimentally.
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Jerk current: A novel bulk photovoltaic effect: We investigate a physical divergence of the third order polarization susceptibility representing a photoinduced current in biased crystalline insulators. This current grows quadratically with illumination time in the absence of momentum relaxation and saturation; we refer to it as the \textit{jerk current}. Two contributions to the current are identified. The first is a hydrodynamic acceleration of optically injected carriers by the static electric field, and the second is the change in the carrier injection rate in the presence of the static electric field. The jerk current can have a component perpendicular to the static field, a feature not captured by standard hydrodynamic descriptions of carriers in electric fields. We suggest an experiment to detect the jerk current and some of its interesting features.
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Rotation-induced macromolecular spooling of DNA: Genetic information is stored in a linear sequence of base-pairs; however, thermal fluctuations and complex DNA conformations such as folds and loops make it challenging to order genomic material for in vitro analysis. In this work, we discover that rotation-induced macromolecular spooling of DNA around a rotating microwire can monotonically order genomic bases, overcoming this challenge. We use single-molecule fluorescence microscopy to directly visualize long DNA strands deforming and elongating in shear flow near a rotating microwire, in agreement with numerical simulations. While untethered DNA is observed to elongate substantially, in agreement with our theory and numerical simulations, strong extension of DNA becomes possible by introducing tethering. For the case of tethered polymers, we show that increasing the rotation rate can deterministically spool a substantial portion of the chain into a fully stretched, single-file conformation. When applied to DNA, the fraction of genetic information sequentially ordered on the microwire surface will increase with the contour length, despite the increased entropy. This ability to handle long strands of DNA is in contrast to modern DNA sample preparation technologies for sequencing and mapping, which are typically restricted to comparatively short strands resulting in challenges in reconstructing the genome. Thus, in addition to discovering new rotation-induced macromolecular dynamics, this work inspires new approaches to handling genomic-length DNA strands.
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Quantum contact process: The contact process is a paradigmatic classical stochastic system displaying critical behavior even in one dimension. It features a non-equilibrium phase transition into an absorbing state that has been widely investigated and shown to belong to the directed percolation universality class. When the same process is considered in a quantum setting much less is known. So far mainly semi-classical studies have been conducted and the nature of the transition in low dimensions is still a matter of debate. Also from a numerical point of view, from which the system may look fairly simple --- especially in one dimension --- results are lacking. In particular the presence of the absorbing state poses a substantial challenge which appears to affect the reliability of algorithms targeting directly the steady-state. Here we perform real-time numerical simulations of the open dynamics of the quantum contact process and shed light on the existence and on the nature of an absorbing state phase transition in one dimension. We find evidence for the transition being continuous and provide first estimates for the critical exponents. Beyond the conceptual interest, the simplicity of the quantum contact process makes it an ideal benchmark problem for scrutinizing numerical methods for open quantum non-equilibrium systems.
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Weyl semimetals and superconductors designed in an orbital selective superlattice: We propose two complementary design principles for engineering three-dimensional (3D) Weyl semimetals and superconductors in a layer-by-layer setup which includes even and odd parity orbitals in alternating layers - dubbed orbital selective superlattice. Such structure breaks mirror symmetry along the superlattice growth axis which, with the help of either a basal plane spin-orbit coupling or a spinless p+ip superconductivity, stabilizes a 3D Dirac node. To explore this idea, we develop a 3D generalization of Haldane model and a Bogoliubov-de-Gennes (BdG) Hamiltonian for the two cases, respectively, and show that a tunable single or multiple Weyl nodes with linear dispersion in all spatial directions can be engineered desirably in a widespread parameter space. We also demonstrate that a single helical Weyl band can be created at the $\Gamma$-point at the Fermi level in the superconducting case via gapping out either of the orbital state by violating its particle-hole symmetry but not any other symmetries. Finally, implications of our results for the realization of anomalous Hall effect and Majorana bound state are discussed.
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Correlations between mechanical, structural, and dynamical properties of polymer nanocomposites: We study the structural and dynamical mechanisms of reinforcement of a polymer nanocomposite (PNC) via coarse-grained molecular dynamics simulations. In a regime of strong polymer-filler interactions, the stress at failure of the PNC is clearly correlated to structural quantities, such as the filler loading, the surface area of the polymer-filler interface, and the network structure. Additionally, we find that small fillers, of the size of the polymer monomers, are the most effective at reinforcing the matrix by surrounding the polymer chains and maximizing the number of strong polymer-filler interactions. Such a structural configuration is correlated to a dynamical feature, namely, the minimization of the relative mobility of the fillers with respect to the polymer matrix.
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Emergent channel over a pair of pockets in strong density waves: Different channels over which electrons scatter between parts of the Fermi surface are the key to various electronic quantum matters, such as superconductivity and density waves. We consider an effective model in higher dimensions where each of the two pockets in the original model maps to (the Landau levels of) two Dirac fermions. We discover an emergent channel when two Dirac fermions from different pairs annihilate, where the presence of a strong density wave is essential. We support our analysis with numerical calculations on model examples in the vicinity of ferromagnetic and antiferromagnetic orders. We also discuss interesting consequences on electron interaction channels that beyond-mean-field fluctuations may induce.
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Coupled Effects in Quantum Dot Nanostructures with Nonlinear Strain and Bridging Modelling Scales: We demonstrate that the conventional application of linear models to the analysis of optoelectromechanical properties of nanostructures in bandstructure engineering could be inadequate. The focus of the present paper is on a model based on the coupled Schrodinger-Poisson system where we account consistently for the piezoelectric effect and analyze the influence of different nonlinear terms in strain components. The examples given in this paper show that the piezoelectric effect contributions are essential and have to be accounted for with fully coupled models. While in structural applications of piezoelectric materials at larger scales, the minimization of the full electromechanical energy is now a routine in many engineering applications, in bandstructure engineering conventional approaches are still based on linear models with minimization of uncoupled, purely elastic energy functionals with respect to displacements. Generalizations of the existing models for bandstructure calculations are presented in this paper in the context of coupled effects.
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Structural reconstruction and anisotropic conductance in $4f$-ferromagnetic monolayer: Two-dimensional magnets are promising for nanoscale spintronic applications. Currently, most available candidates are based on $3d$ transition metal compounds, with hexagonal or honeycomb lattice geometry. Here, a GdCl$_3$ monolayer with $4f$ moments is theoretically studied, which can be exfoliated from its existing bulk. Its orthorhombic structure and hendecahedral ion cages are unique in two-dimensional. Furthermore, a significant structural reconstruction is caused by the implantation of Li atoms into its interstitial position, which also lead to ferromagnetism via a double-exchange-like process. Its highly anisotropic conductance may be peculiarly useful for nanoelectronics.
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Finite-temperature critical point of a glass transition: We generalize the simplest kinetically constrained model of a glass-forming liquid by softening kinetic constraints, allowing them to be violated with a small finite rate. We demonstrate that this model supports a first-order dynamical (space-time) phase transition, similar to those observed with hard constraints. In addition, we find that the first-order phase boundary in this softened model ends in a finite-temperature dynamical critical point, which we expect to be present in natural systems. We discuss links between this critical point and quantum phase transitions, showing that dynamical phase transitions in $d$ dimensions map to quantum transitions in the same dimension, and hence to classical thermodynamic phase transitions in $d+1$ dimensions. We make these links explicit through exact mappings between master operators, transfer matrices, and Hamiltonians for quantum spin chains.
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Pressure consistency for binary hard-sphere mixtures from an integral equation approach: The site-site Ornstein-Zernike equation combined with the Verlet-modified bridge function has been applied to the binary hard sphere mixtures and pressure consistency has been tested. An equation of state has been computed for the case where a packing fraction is $\eta = 0.49$, diameter ratios are $\sigma_{2}/\sigma_{1} = 0.3$ and $0.6$, and the mole fractions are $x_{1} = 0.125, 0.5, 0.75$, and $1$. An excess chemical potential for each component has been obtained as well. Our findings for thermodynamic properties are in good agreement with available data in literature.
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Effect of Succinonitrile on Ion Transport in PEO-based Lithium Ion Battery Electrolytes: We report the ion transport mechanisms in succinonitrile (SN) loaded solid polymer electrolytes containing polyethylene oxide (PEO) and dissolved lithium bis(trifluoromethane)sulphonamide (LiTFSI) salt using molecular dynamics simulations. We investigated the effect of temperature and loading of SN on ion transport and relaxation phenomenon in PEO-LiTFSI electrolytes. It is observed that SN increases the ionic diffusivities in PEO-based solid polymer electrolytes and makes them suitable for battery applications. Interestingly, the diffusion coefficient of TFSI ions is an order of magnitude higher than the diffusion coefficient of lithium ions across the range of temperatures and loadings integrated. By analyzing different relaxation timescales and examining the underlying transport mechanisms in SN-loaded systems, we find that the diffusivity of TFSI ions correlates excellently with the Li-TFSI ion-pair relaxation timescales. In contrast, our simulations predict distinct transport mechanisms for Li-ions in SN-loaded PEO-LiTFSI electrolytes. Explicitly, the diffusivity of lithium ions cannot be uniquely determined by the ion-pair relaxation timescales but additionally depends on the polymer segmental dynamics. On the other hand, the SN loading induced diffusion coefficient at a given temperature does not correlate with either the ion-pair relaxation timescales or the polymer segmental relaxation timescales.
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Rethinking mean-field glassy dynamics and its relation with the energy landscape: the awkward case of the spherical mixed p-spin model: The spherical p-spin model is not only a fundamental model in statistical mechanics of disordered system, but has recently gained popularity since many hard problems in machine learning can be mapped on it. Thus the study of the out of equilibrium dynamics in this model is interesting both for the glass physics and for its implications on algorithms solving NP-hard problems. We revisit the long-time limit of the out of equilibrium dynamics of mean-field spherical mixed p-spin models. We consider quenches (gradient descent dynamics) starting from initial conditions thermalized at some temperature in the ergodic phase. We perform numerical integration of the dynamical mean-field equations of the model and we find an unexpected dynamical phase transition. Below an onset temperature, higher than the dynamical transition temperature, the asymptotic energy goes below the "threshold energy" of the dominant marginal minima of the energy function and memory of the initial condition is kept. This behavior, not present in the pure spherical p-spin model, resembles closely the one observed in simulations of glass-forming liquids. We then investigate the nature of the asymptotic dynamics, finding an aging solution that relaxes towards deep marginal minima, evolving on a restricted marginal manifold. Careful analysis, however, rules out simple aging solutions. We compute the constrained complexity in the aim of connecting the asymptotic solution to the energy landscape.
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Connectedness percolation of hard deformed rods: Nanofiller particles, such as carbon nanotubes or metal wires, are used in functional polymer composites to make them conduct electricity. They are often not perfectly straight cylinders, but may be tortuous or exhibit kinks. Therefore we investigate the effect of shape deformations of the rodlike nanofillers on the geometric percolation threshold of the dispersion. We do this by using connectedness percolation theory within a Parsons-Lee type of approximation, in combination with Monte Carlo integration for the average overlap volume in the isotropic fluid phase. We find that a deviation from a perfect rodlike shape has very little effect on the percolation threshold, unless the particles are strongly deformed. This demonstrates that idealized rod models are useful even for nanofillers that superficially seem imperfect. In addition, we show that for small or moderate rod deformations, the universal scaling of the percolation threshold is only weakly affected by the precise particle shape.
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Optical Black-hole Analog Created by Topological Phase Transition with a Long-lived Horizon: Hawking radiation, a manifestation of quantum field theory in curved spacetime, has stimulated extensive theoretical and experimental studies of various black-hole (BH) analogs. However, an undisputed confirmation of Hawking radiation remains elusive. One challenge is BH analog structures with long-lived horizons are difficult to achieve. Here, we theoretically demonstrate a new type of optical BH analog based on light cone evolution associated with topological phase transition of Dirac cones. The transition from a type-II to type-I Dirac/Weyl cone creates an analogous curved spacetime that crosses a type-III Dirac/Weyl cone, which affords a stationary configuration of long-lived event horizon. Photons tunneling through the horizon emit a spectrum of Hawking radiation. As an example, we design a laboratory version in an inhomogeneous two-dimensional graphyne-like topological photonic lattice with a Hawking temperature of 0.14 mK. Understanding Hawking-like radiation in this unique topological BH is not only of fundamental interest in its own right but may also provide new hints to gravitational physics.
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Defining Temperatures of Granular Powders Analogously with Thermodynamics to Understand the Jamming Phenomena: For the purpose of applying laws or principles originated from thermal systems to granular athermal systems, we may need to properly define the critical temperature concept in granular powders. The conventional environmental temperature in thermal systems is too weak to drive movements of particles in granular powders and cannot function as a thermal energy indicator. For maintaining the same functionality as in thermal systems, the temperature in granular powders is defined analogously and uniformly in this article. The newly defined granular temperature is utilized to describe and explain one of the most important phenomena observed in granular powders, the jamming transition, by introducing jamming temperature and jamming volume fraction concepts. The predictions from the equations of the jamming volume fractions for several cases like granular powders under shear or vibration are in line with experimental observations and empirical solutions in powder handlings. The goal of this article is to establish similar concepts in granular powders, allowing granular powders to be described with common laws or principles we are familiar with in thermal systems. Our intention is to build a bridge between thermal systems and granular powders to account for many similarities already found between these two systems.
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Hyperuniformity of Maximally Random Jammed Packings of Hyperspheres Across Spatial Dimensions: The maximally random jammed (MRJ) state is the most random configuration of strictly jammed (mechanically rigid) nonoverlapping objects. MRJ packings are hyperuniform, meaning their long-wavelength density fluctuations are anomalously suppressed compared to typical disordered systems, i.e., their structure factors $S(\mathbf{k})$ tend to zero as the wavenumber $|\mathbf{k}|$ tends to zero. Here, we show that generating high-quality strictly jammed states for space dimensions $d = 3,4,$ and $5$ is of paramount importance in ensuring hyperuniformity and extracting precise values of the hyperuniformity exponent $\alpha > 0$ for MRJ states, defined by the power-law behavior of $S(\mathbf{k})\sim|\mathbf{k}|^{\alpha}$ in the limit $|\mathbf{k}|\rightarrow0$. Moreover, we show that for fixed $d$ it is more difficult to ensure jamming as the particle number $N$ increases, which results in packings that are nonhyperuniform. Free-volume theory arguments suggest that the ideal MRJ state does not contain rattlers, which act as defects in numerically generated packings. As $d$ increases, we find that the fraction of rattlers decreases substantially. Our analysis of the largest truly jammed packings suggests that the ideal MRJ packings for all dimensions $d\geq3$ are hyperuniform with $\alpha = d - 2$, implying the packings become more hyperuniform as $d$ increases. The differences in $\alpha$ between MRJ packings and recently proposed Manna-class random close packed (RCP) states, which were reported to have $\alpha = 0.25$ in $d=3$ and be nonhyperuniform ($\alpha = 0$) for $d = 4$ and $d = 5$, demonstrate the vivid distinctions between the large-scale structure of RCP and MRJ states in these dimensions. Our work clarifies the importance of the link between true jamming and hyperuniformity and motivates the development of an algorithm to produce rattler-free three-dimensional MRJ packings.
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Transport Properties of Multiple Quantum Dots Arranged in Parallel: Results from the Bethe Ansatz: In this paper we analyze transport through a double dot system connected to two external leads. Imagining each dot possessing a single active level, we model the system through a generalization of the Anderson model. We argue that this model is exactly solvable when certain constraints are placed upon the dot Coulomb charging energy, the dot-lead hybridization, and the value of the applied gate voltage. Using this exact solvability, we access the zero temperature linear response conductance both in and out of the presence of a Zeeman field. We are also able to study the finite temperature linear response conductance. We focus on universal behaviour and identify three primary features in the transport of the dots: i) a so-called RKKY Kondo effect; ii) a standard Kondo effect; and iii) interference phenomena leading to sharp variations in the conductance including conductance zeros. We are able to use the exact solvability of the dot model to characterize these phenomena quantitatively. While here we primarily consider a double dot system, the approach adopted applies equally well to N-dot systems.
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Examination of the tradeoff between intrinsic and extrinsic properties in the optimization of a modern internal tin Nb3Sn conductor: In modern Nb3Sn wires there is a fundamental compromise to be made between optimizing the intrinsic properties associated with the superfluid density in the A15 phase (e.g. Tc, Hc, Hc2, all of which are composition dependent), maximizing the quantity of A15 that can be formed from a given mixture of Nb, Sn and Cu, minimizing the A15 composition gradients within each sub-element, while at the same time generating a high vortex pinning critical current density, Jc, by maximizing the grain boundary density with the additional constraint of maintaining the RRR of the Cu stabilizer above 100. Here we study these factors in a Ta-alloyed Restacked-Rod-Process (RRP) wire with ~70 microns diameter sub-elements. Consistent with many earlier studies, maximum non-Cu Jc(12T,4.2K) requires preventing A15 grain growth, rather than by optimizing the superfluid density. In wires optimized for 12T, 4.2K performance, about 60% of the non-Cu cross-section is A15, 35% residual Cu and Sn core, and only 5% a residual Nb7.5wt.%Ta diffusion barrier. The specific heat and chemical analyses show that in this 60% A15 fraction there is a wide range of Tc and chemical composition that does diminish for higher heat treatment temperatures, which, however, are impractical because of the strong RRR degradation that occurs when only about 2% of the A15 reaction front breaches the diffusion barrier. As this kind of Nb3Sn conductor design is being developed for sub-elements 1/2 the present size, it is clear that better barriers are essential to allowing higher temperature reactions with better intrinsic A15 properties. We present here multiple and detailed intrinsic and extrinsic evaluations because we believe that only such broad and quantitative descriptions are capable of accurately tracking the limitations of individual conductor designs where optimization will always be a compromise between inherently conflicting goals
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Orbital magnetization of correlated electrons with arbitrary band topology: Spin-orbit coupling introduces chirality into electronic structure. This can have profound effects on the magnetization induced by orbital motion of electrons. Here we derive a formula for the orbital magnetization of interacting electrons in terms of the full Green's function and vertex functions. The formula is applied within dynamical mean-field theory to the Kane-Mele-Hubbard model that allows both topological and trivial insulating phases. We study the insulating and metallic phases in the presence of an exchange magnetic field. In the presence of interactions, the orbital magnetization of the quantum spin Hall insulating phase with inversion symmetry is renormalized by the bulk quasi-particle weight. The orbital magnetization vanishes for the in-plane antiferromagnetic phase with trivial topology. In the metallic phase, the enhanced effective spin-orbit coupling due to the interaction sometimes leads to an enhancement of the orbital magnetization. However, at low doping, magnetization is suppressed at large interaction strengths.
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Magnetic molecular orbitals in MnSi: A large body of knowledge about magnetism is attained from models of interacting spins, which usually reside on magnetic ions. Proposals beyond the ionic picture are uncommon and seldom verified by direct observations in conjunction with microscopic theory. Here, using inelastic neutron scattering to study the itinerant near-ferromagnet MnSi, we find that the system's fundamental magnetic units are interconnected, extended molecular orbitals consisting of three Mn atoms each, rather than individual Mn atoms. This result is further corroborated by magnetic Wannier orbitals obtained by ab initio calculations. It contrasts the ionic picture with a concrete example, and presents a novel regime of the spin waves where the wavelength is comparable to the spatial extent of the molecular orbitals. Our discovery brings important insights into not only the magnetism of MnSi, but also a broad range of magnetic quantum materials where structural symmetry, electron itinerancy and correlations act in concert.
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Self-avoiding walks subject to a force: We prove some theorems about self-avoiding walks attached to an impenetrable surface (i.e. positive walks) and subject to a force. Specifically we show the force dependence of the free energy is identical when the force is applied at the last vertex or at the top (confining) plane. We discuss the relevance of this result to numerical results and to a recent result about convergence rates when the walk is being pushed towards the surface.
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Spin-polarized transport in II-VI magnetic resonant tunneling devices: We investigate electronic transport through II-VI semiconductor resonant tunneling structures containing diluted magnetic impurities. Due to the exchange interaction between the conduction electrons and the impurities, there arises a giant Zeeman splitting in the presence of a moderately low magnetic field. As a consequence, when the quantum well is magnetically doped the current-voltage characteristics shows two peaks corresponding to transport for each spin channel. This behavior is experimentally observed and can be reproduced with a simple tunneling model. The model thus allows to analyze other configurations. First, we further increase the magnetic field, which leads to a spin polarization of the electronic current injected from the leads, thus giving rise to a relative change in the current amplitude. We demonstrate that the spin polarization in the emitter can be determined from such a change. Furthermore, in the case of a magnetically doped injector our model shows a large increase in peak amplitude and a shift of the resonance to higher voltages as the external field increases. We find that this effect arises from a combination of giant Zeeman splitting, 3-D incident distribution and broad resonance linewidth.
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Connection between matrix-product states and superposition of Bernoulli shock measures: We consider a generalized coagulation-decoagulation system on a one-dimensional discrete lattice with reflecting boundaries. It is known that a Bernoulli shock measure with two shock fronts might have a simple random-walk dynamics, provided that some constraints on the microscopic reaction rates of this system are fulfilled. Under these constraints the steady-state of the system can be written as a linear superposition of such shock measures. We show that the coefficients of this expansion can be calculated using the finite-dimensional representation of the quadratic algebra of the system obtained from a matrix-product approach.
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eQE 2.0: Subsystem DFT Beyond GGA Functionals: By adopting a divide-and-conquer strategy, subsystem-DFT (sDFT) can dramatically reduce the computational cost of large-scale electronic structure calculations. The key ingredients of sDFT are the nonadditive kinetic energy and exchange-correlation functionals which dominate it's accuracy. Even though, semilocal nonadditive functionals find a broad range of applications, their accuracy is somewhat limited especially for those systems where achieving balance between exchange-correlation interactions on one side and nonadditive kinetic energy on the other is crucial. In eQE 2.0, we improve dramatically the accuracy of sDFT simulations by (1) implementing nonlocal nonadditive kinetic energy functionals based on the LMGP family of functionals; (2) adapting Quantum ESPRESSO's implementation of rVV10 and vdW-DF nonlocal exchange-correlation functionals to be employed in sDFT simulations; (3) implementing "deorbitalized" meta GGA functionals (e.g., SCAN-L). We carefully assess the performance of the newly implemented tools on the S22-5 test set. eQE 2.0 delivers excellent interaction energies compared to conventional Kohn-Sham DFT and CCSD(T). The improved performance does not come at a loss of computational efficiency. We show that eQE 2.0 with nonlocal nonadditive functionals retains the same linear scaling behavior achieved in eQE 1.0 with semilocal nonadditive functionals.
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The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results: The high-pressure dynamics of a computer-modeled silica melt is studied in the framework of the mode-coupling theory of the glass transition (MCT) using static-structure input from molecular-dynamics (MD) computer simulation. The theory reproduces the experimentally known viscosity minimum (diffusivity maximum) as a function of density or pressure and explains it in terms of a corresponding minimum in its critical temperature. This minimum arises from a gradual change in the equilibrium static structure which shifts from being dominated by tetrahedral ordering to showing the cageing known from high-density liquids. The theory is in qualitative agreement with computer simulation results.
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Capillary imbibition in a square tube: When a square tube is brought in contact with bulk liquid, the liquid wets the corners of the tube, and creates finger-like wetted region. The wetting of the liquid then takes place with the growth of two parts, the bulk part where the cross section is entirely filled with the liquid and the finger part where the cross section of the tube is partially filled. In the previous works, the growth of these two parts has been discussed separately. Here we conduct the analysis by explicitly accounting for the coupling of the two parts. We propose coupled equations for the liquid imbibition in both parts and show that (a) the length of each part, $h_0$ and $h_1$, both increases in time $t$ following the Lucas-Washburn's law, $h_0 \sim t^{1/2}$ and $h_1 \sim t^{1/2}$, but that (b) the coefficients are different from those obtained in the previous analysis which ignored the coupling.
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Evidence for 4e charge of Cooper quartets in a biased multi-terminal graphene-based Josephson junction: In a Josephson junction (JJ), Cooper pairs are transported via Andreev bound states (ABSs) between superconductors. The ABSs in the weak link of multi-terminal (MT) JJs can coherently hybridize two Cooper pairs among different superconducting electrodes, resulting in the Cooper quartet (CQ) involving four fermions entanglement. The energy spectrum of these CQ-ABS can be controlled by biasing MT-JJs due to the AC Josephson effect. Here, using gate tunable four-terminal graphene JJs complemented with a flux loop, we construct CQs with a tunable spectrum. The critical quartet supercurrent exhibits magneto-oscillation associated with a charge of 4e; thereby presenting the evidence for interference between entangled CQ-ABS. At a finite bias voltage, we find the DC quartet supercurrent shows non-monotonic bias dependent behavior, attributed to Landau-Zener transitions between different Floquet bands. Our experimental demonstration of coherent non-equilibrium CQ-ABS sets a path for design of artificial topological materials based on MT-JJs.
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Quantum Monte Carlo Study on the Spin-1/2 Honeycomb Heisenberg Model with Mixing Antiferromagnetic and Ferromagnetic Interactions in External Magnetic Fields: The continuous imaginary-time quantum Monte Carlo method with the worm update algorithm is applied to explore the ground state properties of the spin-1/2 Heisenberg model with antiferromagnetic (AF) coupling $J>0$ and ferromagnetic (F) coupling $J^{\prime}<0$ along zigzag and armchair directions, respectively, on honeycomb lattice. It is found that by enhancing the F coupling $J^{\prime}$ between zigzag AF chains, the system is smoothly crossover from one-dimensional zigzag spin chains to a two-dimensional magnetic ordered state. In absence of an external field, the system is in a stripe order phase. In presence of uniform and staggered fields, the uniform and staggered out-of-plane magnetizations appear while the stripe order keeps in $xy$ plane, and a second-order quantum phase transition (QPT) at a critical staggered field is observed. The critical exponents of correlation length for QPTs induced by a staggered field for the cases with $J>0$, $J^{\prime}<0$ and $J<0$, $J^{\prime}>0$ are obtained to be $\nu=0.677(2)$ and $0.693(0)$, respectively, indicating that both cases belong to O(3) universality. The scaling behavior in a staggered field is analyzed, and the ground state phase diagrams in the plane of coupling ratio and staggered field are presented for two cases. The temperature dependence of susceptibility and specific heat of both systems in external magnetic fields is also discussed.
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Operator-valued Riemann-Hilbert problem for correlation functions of the XXZ spin chain: The generating functional of correlation functions for the XXZ spin chain is considered in the thermodynamic limit. We derive a system of integro-difference equations that prescribe this functional. On the basis of this system we establish the operator-valued Riemann-Hilbert problem for correlation functions of the XXZ spin chain.
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Decoding the Mechanisms of Reversibility Loss in Rechargeable Zinc-Air Batteries: Attaining high reversibility of electrodes and electrolyte is essential for the longevity of secondary batteries. Rechargeable zinc-air batteries (RZABs), however, encounter drastic irreversible changes in the zinc anodes and air cathodes during cycling. To uncover the mechanisms of reversibility loss in RZABs, we investigate the evolution of zinc anode, alkaline electrolyte, and air electrode through experiments and first-principles calculations. Morphology diagrams of zinc anodes under versatile operating conditions reveal that the nano-sized mossy zinc dominates the later cycling stage. Such anodic change is induced by the increased zincate concentration due to hydrogen evolution, which is catalyzed by the mossy structure and results in oxide passivation on electrodes, and eventually leads to low true Coulombic efficiencies and short lifespans of batteries. Inspired by these findings, we finally present a novel overcharge-cycling protocol to compensate the Coulombic efficiency loss caused by hydrogen evolution and significantly extend the battery life.
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High-pressure synthesis and the enhancement of the superconducting properties of FeSe0.5Te0.5: A series of FeSe0.5Te0.5 bulk samples have been prepared through the high gas pressure and high-temperature synthesis (HP-HTS) method to optimize the growth conditions, for the first time and investigated for their superconducting properties using structural, microstructure, transport, and magnetic measurements to reach the final conclusions. Ex-situ and in-situ processes are used to prepare bulk samples under a range of growth pressures using Ta-tube and without Tatube. The parent compound synthesized by convenient synthesis method at ambient pressure (CSP) exhibits a superconducting transition temperature of 14.8 K. Our data demonstrate that the prepared FeSe0.5Te0.5 sealed in a Ta-tube is of better quality than the samples without a Ta-tube, and the optimum growth conditions (500 MPa, 600{\deg}C for 1 h) are favourable for the development of the tetragonal FeSe0.5Te0.5 phase. The optimum bulk FeSe0.5Te0.5 depicts a higher transition temperature of 17.3 K and a high critical current density of the order of >10^4 A/cm^2 at 0 T, which is improved over the entire magnetic field range and almost twice higher than the parent compound prepared through CSP. Our studies confirm that the high-pressure synthesis method is a highly efficient way to improve the superconducting transition, grain connectivity, sample density, and also pinning properties of a superconductor.
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Doping Effect and Flux Pinning Mechanism of Nano-SiC Additions in MgB2 Strands: Superconducting MgB2 strands with nanometer-scale SiC additions have been investigated systematically using transport and magnetic measurements. A comparative study of MgB2 strands with different nano-SiC addition levels has shown C-doping-enhanced critical current density Jc through enhancements in the upper critical field, Hc2, and decreased anisotropy. The critical current density and flux pinning force density obtained from magnetic measurements were found to greatly differ from the values obtained through transport measurements, particularly with regards to magnetic field dependence. The differences in magnetic and transport results are largely attributed to connectivity related effects. On the other hand, based on the scaling behavior of flux pinning force, there may be other effective pinning centers in MgB2 strands in addition to grain boundary pinning.
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Geometric theory on the elasticity of bio-membranes: The purpose of this paper is to study the shapes and stabilities of bio-membranes within the framework of exterior differential forms. After a brief review of the current status in theoretical and experimental studies on the shapes of bio-membranes, a geometric scheme is proposed to discuss the shape equation of closed lipid bilayers, the shape equation and boundary conditions of open lipid bilayers and two-component membranes, the shape equation and in-plane strain equations of cell membranes with cross-linking structures, and the stabilities of closed lipid bilayers and cell membranes. The key point of this scheme is to deal with the variational problems on the surfaces embedded in three-dimensional Euclidean space by using exterior differential forms.
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Steady-state and quench dependent relaxation of a quantum dot coupled to one-dimensional leads: We study the time evolution and steady state of the charge current in a single-impurity Anderson model, using matrix product states techniques. A nonequilibrium situation is imposed by applying a bias voltage across one-dimensional tight-binding leads. Focusing on particle-hole symmetry, we extract current-voltage characteristics from universal low-bias up to high-bias regimes, where band effects start to play a dominant role. We discuss three quenches, which after strongly quench-dependent transients yield the same steady-state current. Among these quenches we identify those favorable for extracting steady-state observables. The period of short-time oscillations is shown to compare well to real-time renormalization group results for a simpler model of spinless fermions. We find indications that many-body effects play an important role at high-bias voltage and finite bandwidth of the metallic leads. The growth of entanglement entropy after a certain time scale (proportional to the inverse of Delta) is the major limiting factor for calculating the time evolution. We show that the magnitude of the steady-state current positively correlates with entanglement entropy. The role of high-energy states for the steady-state current is explored by considering a damping term in the time evolution.
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Kinetics of inherent processes counteracting crystallization in supercooled monatomic liquid: Crystallization of supercooled liquids is mainly determined by two competing processes associated with the transition of particles (atoms) from liquid phase to crystalline one and, vice versa, with the return of particles from crystalline phase to liquid one. The quantitative characteristics of these processes are the so-called attachment rate $g^{+}$ and the detachment rate $g^{-}$, which determine how particles change their belonging from one phase to another. In the present study, a {\it correspondence rule} between the rates $g^{+}$ and $g^{-}$ as functions of the size $N$ of growing crystalline nuclei is defined for the first time. In contrast to the well-known detailed balance condition, which relates $g^{+}(N)$ and $g^{-}(N)$ at $N=n_c$ (where $n_c$ is the critical nucleus size) and is satisfied only at the beginning of the nucleation regime, the found {\it correspondence rule} is fulfilled at all the main stages of crystallization kinetics (crystal nucleation, growth and coalescence). On the example of crystallizing supercooled Lennard-Jones liquid, the rate $g^{-}$ was calculated for the first time at different supercooling levels and for the wide range of nucleus sizes $N\in[n_c;\,40\,n_c]$. It was found that for the whole range of nucleus sizes, the detachment rate $g^{-}$ is only $\approx2$\% less than the attachment rate $g^{+}$. This is direct evidence that the role of the processes that counteract crystallization remains significant at all the stages of crystallization. Based on the obtained results, a kinetic equation was formulated for the time-dependent distribution function of the nucleus sizes, that is an alternative to the well-known kinetic Becker-D\"{o}ring-Zeldovich-Frenkel equation.
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Exceptional point description of one-dimensional chiral topological superconductors/superfluids in BDI class: We show that certain singularities of the Hamiltonian in the complex wave vector space can be used to identify topological quantum phase transitions for $1D$ chiral topological superconductors/superfluids in the BDI class. These singularities fall into the category of the so-called exceptional points ($EP$'s) studied in the context of non-Hermitian Hamiltonians describing open quantum systems. We also propose a generic formula in terms of the properties of the $EP$'s to quantify the exact number of Majorana zero modes in a particular chiral topological superconducting phase, given the values of the parameters appearing in the Hamiltonian. This formula serves as an alternative to the familiar integer ($\mathbb{Z}$) winding number invariant characterizing topological superconductor/superfluid phases in the chiral BDI class.
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Twisted bilayer blue phosphorene: A direct band gap semiconductor: We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.
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Bulk Geometry of the Many Body Localized Phase from Wilson-Wegner Flow: Tensor networks are a powerful formalism for transforming one set of degrees of freedom to another. They have been heavily used in analyzing the geometry of bulk/boundary correspondence in conformal field theories. Here we develop a tensor-network version of the Wilson-Wegner Renormalization Group Flow equations to efficiently generate a unitary tensor network which diagonalizes many-body localized Hamiltonians. Treating this unitary tensor network as a bulk geometry, we find this emergent geometry corresponds to the shredded horizon picture: the circumference of the network shrinks exponentially with distance into the bulk, with spatially distant points being largely disconnected.
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Observation of an optical non-Fermi-liquid behavior in the heavy fermion state of YbRh$_{2}$Si$_{2}$: We report far-infrared optical properties of YbRh$_{2}$Si$_{2}$ for photon energies down to 2 meV and temperatures 0.4 -- 300 K. In the coherent heavy quasiparticle state, a linear dependence of the low-energy scattering rate on both temperature and photon energy was found. We relate this distinct dynamical behavior different from that of Fermi liquid materials to the non-Fermi liquid nature of YbRh$_{2}$Si$_{2}$ which is due to its close vicinity to an antiferromagnetic quantum critical point.
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Faulty evidence for superconductivity in ac magnetic susceptibility of sulfur hydride under pressure: It is generally believed that sulfur hydride under high pressure is a high temperature superconductor. In National Science Review 6, 713 (2019) Huang and coworkers reported detection of superconductivity in sulfur hydride through a highly sensitive ac magnetic susceptibility technique and an unambiguous determination of the superconducting phase diagram. In this paper we present evidence showing that the experimental results reported in that paper do not support the conclusion that sulfur hydride is a superconductor.
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Theory of Superfluids with Population Imbalance: Finite Temperature and BCS-BEC Crossover Effects: In this paper we present a very general theoretical framework for addressing fermionic superfluids over the entire range of BCS to Bose Einstein condensation (BEC) crossover in the presence of population imbalance or spin polarization. Our emphasis is on providing a theory which reduces to the standard zero temperature mean field theories in the literature, but necessarily includes pairing fluctuation effects at non-zero temperature within a consistent framework. Physically, these effects are associated with the presence of pre-formed pairs (or a fermionic pseudogap) in the normal phase, and pair excitations of the condensate, in the superfluid phase. We show how this finite $T$ theory of fermionic pair condensates bears many similarities to the condensation of point bosons. In the process we examine three different types of condensate: the usual breached pair or Sarma phase and both the one and two plane wave Larkin- Ovchinnikov, Fulde-Ferrell (LOFF) states. The last of these has been discussed in the literature albeit only within a Landau-Ginzburg formalism, generally valid near $T_c$. Here we show how to arrive at the two plane wave LOFF state in the ground state as well as at general temperature $T$.
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Conductance in strongly correlated 1D systems: Real-Time Dynamics in DMRG: A new method to perform linear and finite bias conductance calculations in one dimensional systems based on the calculation of real time evolution within the Density Matrix Renormalization Group (DMRG) is presented. We consider a system of spinless fermions consisting of an extended interacting nanostructure attached to non-interacting leads. Results for the linear and finite bias conductance through a seven site structure with weak and strong nearest-neighbor interactions are presented. Comparison with exact diagonalization results in the non-interacting limit serve as verification of the accuracy of our approach. Our results show that interaction effects lead to an energy dependent self energy in the differential conductance.
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Thermally Activated Motion of Sodium Cations in Insulating Parent Low-Silica X Zeolite: We report a $^{23}$Na spin-lattice relaxation rate, $T_1^{-1}$, in low-silica X zeolite. $T_1^{-1}$ follows multiple BPP-type behavior as a result of thermal motion of sodium cations in insulating material. The estimated lowest activation energy of 15~meV is much lower than 100~meV observed previously for sodium motion in heavily Na-loaded samples and is most likely attributed to short-distance jumps of sodium cations between sites within the same supercage.
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Nature of order from random two-body interactions: We investigate the origin of order in the low-lying spectra of many-body systems with random two-body interactions. Our study based both on analytical as well as on numerical arguments shows that except for the most $J$-stretched states, the ground states in the higher $J$-sectors are more orderly and develop larger energy gaps than the ones in the J=0-sector. Due to different characteristic energy scales in different $J$-sectors the J=0 ground states may predominate only when all the states are taken together.
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Detailed magneto-heat capacity analysis of SnAs topological superconductor: In this article, we report magneto-heat capacity analysis of superconducting SnAs, which is characterized through X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and magneto-transport measurements. The studied SnAs superconductor evidenced the presence of superconductivity at around 4K, and the same is seen to persist up to an applied field of 250Oe. The bulk nature of superconductivity is determined through AC susceptibility along with heat capacity measurements. Magneto-heat capacity measurements show SnAs to be a fully gapped s wave superconductor. This finding is well supported by calculated superconducting physical parameters. Further, the calculation of the residual Sommerfeld coefficient at different fields confirms node-less superconductivity in SnAs.
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Dynamical generation of skyrmion and bimeron crystals by a circularly polarized electric field in frustrated magnets: A skyrmion crystal (SkX) has attracted much attention in condensed matter physics, since topologically nontrivial structures induce fascinating physical phenomena. The SkXs have been experimentally observed in a variety of materials, where the Zeeman coupling to the static magnetic field plays an important role in the formation of the SkXs. In this study, we theoretically propose another route to generate the SkXs by using a circularly polarized electric field. We investigate a non-equilibrium steady state in a classical frustrated Heisenberg magnet under the circularly polarized electric field, where the electric field is coupled to the electric polarization via the spin-current mechanism. By numerically solving the Landau-Lifshitz-Gilbert equation at zero temperature, we show that the electric field radiation generates a SkX with a high topological number in the high-frequency regime, where the sign of the skyrmion number is fixed to be negative (positive) under the left (right) circularly polarized field. The intense electric field melts these SkXs and generates isolated skyrmions. We clarify that the microscopic origin is effective electric-field-induced three-spin interactions by adopting the high-frequency expansion in the Floquet formalism. Furthermore, we find that the electric field radiation generates another type of SkXs, a bimeron crystal, in the low-frequency regime. Our results provide a way to generate the SkXs and control the topology by the circularly polarized electric field.
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Second sound resonators and tweezers as vorticity or velocity probes : fabrication, model and method: An analytical model of open-cavity second sound resonators is presented and validated against simulations and experiments in superfluid helium using a new resonator design that achieves unprecedented resolution. The model incorporates diffraction, geometrical misalignments, and flow through the cavity, and is validated using cavities with aspect ratios close to unity, operated up to their 20th resonance in superfluid helium.An important finding of this study is that resonators can be optimized to selectively sense either the quantum vortex density carried by the throughflow -- as typically done in the literature -- or the mean velocity of the throughflow. We propose two velocity probing methods: one that takes advantage of geometrical misalignments between the tweezers plates, and another that drives the resonator non-linearly, beyond a threshold that results in the self-sustainment of a vortex tangle within the cavity.A new mathematical treatment of the resonant signal is proposed to adequately filter out parasitic signals, such as temperature and pressure drift, and accurately separate the quantum vorticity signal. This elliptic method consists in a geometrical projection of the resonance in the inverse complex plane. Its effectiveness is demonstrated over a wide range of operating conditions.The resonator model and elliptic method are being utilized to characterize a new design of second-sound resonator with high resolution thanks to miniaturization and design optimization. These second-sound tweezers are capable of providing time-space resolved information similar to classical local probes in turbulence, down to sub-millimeter and sub-millisecond scales. The principle, design, and micro-fabrication of second sound tweezers are being presented in detail, along with their potential for exploring quantum turbulence.
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Large fluctuations of the KPZ equation in a half-space: We investigate the short-time regime of the KPZ equation in $1+1$ dimensions and develop a unifying method to obtain the height distribution in this regime, valid whenever an exact solution exists in the form of a Fredholm Pfaffian or determinant. These include the droplet and stationary initial conditions in full space, previously obtained by a different method. The novel results concern the droplet initial condition in a half space for several Neumann boundary conditions: hard wall, symmetric, and critical. In all cases, the height probability distribution takes the large deviation form $P(H,t) \sim \exp( - \Phi(H)/\sqrt{t})$ for small time. We obtain the rate function $\Phi(H)$ analytically for the above cases. It has a Gaussian form in the center with asymmetric tails, $|H|^{5/2}$ on the negative side, and $H^{3/2}$ on the positive side. The amplitude of the left tail for the half-space is found to be half the one of the full space. As in the full space case, we find that these left tails remain valid at all times. In addition, we present here (i) a new Fredholm Pfaffian formula for the solution of the hard wall boundary condition and (ii) two Fredholm determinant representations for the solutions of the hard wall and the symmetric boundary respectively.
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Probing superfluid $^4\mathrm{He}$ with high-frequency nanomechanical resonators down to $\mathrm{mK}$ temperatures: Superfluids, such as superfluid $^3\mathrm{He}$ and $^4\mathrm{He}$, exhibit a broad range of quantum phenomena and excitations which are unique to these systems. Nanoscale mechanical resonators are sensitive and versatile force detectors with the ability to operate over many orders of magnitude in damping. Using nanomechanical-doubly clamped beams of extremely high quality factors ($Q>10^6$), we probe superfluid $^4\mathrm{He}$ from the superfluid transition temperature down to $\mathrm{mK}$ temperatures at frequencies up to $11.6 \, \mathrm{MHz}$. Our studies show that nanobeam damping is dominated by hydrodynamic viscosity of the normal component of $^4\mathrm{He}$ above $1\,\mathrm{K}$. In the temperature range $0.3-0.8\,\mathrm{K}$, the ballistic quasiparticles (phonons and rotons) determine the beams' behavior. At lower temperatures, damping saturates and is determined either by magnetomotive losses or acoustic emission into helium. It is remarkable that all these distinct regimes can be extracted with just a single device, despite damping changing over six orders of magnitude.
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KMC-MD Investigations of Hyperthermal Copper Deposition on Cu(111): Detailed KMC-MD (kinetic Monte Carlo-molecular dynamics) simulations of hyperthermal energy (10-100 eV) copper homoepitaxy have revealed a re-entrant layer-by-layer growth mode at low temperatures (50K) and reasonable fluxes (1 ML/s). This growth mode is the result of atoms with hyperthermal kinetic energies becoming inserted into islands when the impact site is near a step edge. The yield for atomic insertion as calculated with molecular dynamics near (111) step edges reaches a maxima near 18 eV. KMC-MD simulations of growing films and a minima in the RMS roughness as a function of energy near 25 eV. We find that the RMS roughness saturates just beyond 0.5 ML of coverage in films grown with energies greater than 25 eV due to the onset of adatom-vacancy formation near 20 eV. Adatom-vacancy pairs increase the island nuclei density and the step edge density which increases the number of sites available to insert atoms. Smoothest growth in this regime is achieved by maximizing island and step edge densities, which consequently reverses the traditional roles of temperature and flux: low temperatures and high fluxes produce the smoothest surfaces in these films. Dramatic increases in island densities are found to persist at room temperature,where island densities increase an order of magnitude from 20 to 150 eV.
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Significant enhancement of ferromagnetism in Zn$_{1-x}$Cr$_{x}$Te doped with iodine as an n-type dopant: The effect of additional doping of charge impurities was investigated in a ferromagnetic semiconductor Zn$_{1-x}$Cr$_{x}$Te. It was found that the doping of iodine, which is expected to act as an n-type dopant in ZnTe, brought about a drastic enhancement of the ferromagnetism in Zn$_{1-x}$Cr$_{x}$Te while the grown films remained electrically insulating. In particular, at a fixed Cr composition of x = 0.05, the ferromagnetic transition temperature Tc increased up to 300K at maximum due to the iodine doping from Tc = 30K of the undoped counterpart, while the ferromagnetism disappeared due to the doping of nitrogen as a p-type dopant. The observed systematic correlation of ferromagnetism with the doping of charge impurities of both p- and n-type, suggesting a key role of the position of Fermi level within the impurity d-state, is discussed on the basis of the double exchange interaction as a mechanism of ferromagnetism in this material.
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Proposal for a two-channel quantum dot setup: Prediction for the capacitance lineshape: We have made a detailed proposal for a two-channel quantum dot setup. The energy scales in the problem are such that we are able to make connection with the two-channel Anderson model, which, in spite of being well-known in the context of heavy-Fermion systems remained theoretically elusive until recently and lacked a mesoscopic realization. Verification of our precise and robust predictions for the differential capacitance lineshape of the dot will provide an experimental signature of the two-channel behavior.
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Universal Behavior of Entanglement in 2D Quantum Critical Dimer Models: We examine the scaling behavior of the entanglement entropy for the 2D quantum dimer model (QDM) at criticality and derive the universal finite sub-leading correction $\gamma_{QCP}$. We compute the value of $\gamma_{QCP}$ without approximation working directly with the wave function of a generalized 2D QDM at the Rokhsar-Kivelson QCP in the continuum limit. Using the replica approach, we construct the conformal boundary state corresponding to the cyclic identification of $n$-copies along the boundary of the observed region. We find that the universal finite term is $\gamma_{QCP}=\ln R-1/2$ where $R$ is the compactification radius of the bose field theory quantum Lifshitz model, the effective field theory of the 2D QDM at quantum criticality. We also demonstrated that the entanglement spectrum of the critical wave function on a large but finite region is described by the characters of the underlying conformal field theory. It is shown that this is formally related to the problems of quantum Brownian motion on $n$-dimensional lattices or equivalently a system of strings interacting with a brane containing a background electromagnetic field and can be written as an expectation value of a vertex operator.
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Semiclassical analysis of edge state energies in the integer quantum Hall effect: Analysis of edge-state energies in the integer quantum Hall effect is carried out within the semiclassical approximation. When the system is wide so that each edge can be considered separatly, this problem is equivalent to that of a one dimensional harmonic oscillator centered at x=x_c and an infinite wall at x=0, and appears in numerous physical contexts. The eigenvalues E_n(x_c) for a given quantum number n are solutions of the equation S(E,x_c)=\pi [n+ \gamma(E,x_c)] where S is the WKB action and 0<\gamma<1 encodes all the information on the connection procedure at the turning points. A careful implication of the WKB connection formulae results in an excellent approximation to the exact energy eigenvalues. The dependence of \gamma [E_n(x_c),x_c] \equiv \gamma_c (x_c) on x_c is analyzed between its two extreme values 1/2 as x_c goes to -infinity far inside the sample and 3/4 as x_c goes to infinity far outside the sample. The edge-state energies E_n(x_c) obey an almost exact scaling law of the form E_n(x_c)=4 [n+\gamma_n(x_c)] f(x_c/4 n +3) and the scaling function f(y) is explicitly elucidated
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Thermodynamics and criticality of su($m$) spin chains of Haldane-Shastry type: We study the thermodynamics and critical behavior of su($m$) spin chains of Haldane-Shastry type at zero chemical potential, both in the $A_{N-1}$ and $BC_N$ cases. We evaluate in closed form the free energy per spin for arbitrary values of $m$, from which we derive explicit formulas for the energy, entropy and specific heat per spin. In particular, we find that the specific heat features a single Schottky peak, whose temperature is well approximated for $m\lesssim10$ by the corresponding temperature for an $m$-level system with uniformly spaced levels. We show that at low temperatures the free energy per spin of the models under study behaves as that of a one-dimensional conformal field theory with central charge $c=m-1$ (with the only exception of the Frahm-Inozemtsev chain with zero value of its parameter). However, from a detailed study of the ground state degeneracy and the low-energy excitations, we conclude that these models are only critical in the antiferromagnetic case, with a few exceptions that we fully specify.
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Damage in porous media due to salt crystallization: We investigate the origins of salt damage in sandstones for the two most common salts: sodium chloride and sulfate. The results show that the observed difference in damage between the two salts is directly related to the kinetics of crystallization and the interfacial properties of the salt solutions and crystals with respect to the stone. We show that, for sodium sulfate, the existence of hydrated and anhydrous crystals and specifically their dissolution and crystallization kinetics are responsible for the damage. Using magnetic resonance imaging and optical microscopy we show that when water imbibes sodium sulfate contaminated sandstones, followed by drying at room temperature, large damage occurs in regions where pores are fully filled with salts. After partial dissolution, anhydrous sodium sulfate salt present in these regions gives rise to a very rapid growth of the hydrated phase of sulfate in the form of clusters that form on or close to the remaining anhydrous microcrystals. The rapid growth of these clusters generates stresses in excess of the tensile strength of the stone leading to the damage. Sodium chloride only forms anhydrous crystals that consequently do not cause damage in the experiments.
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Interstitial Transition Metal Doping in Hydrogen Saturated Silicon Nanowires: We report a first principles systematic study of atomic, electronic, and magnetic properties of hydrogen saturated silicon nanowires (H-SiNW) which are doped by transition metal (TM) atoms placed at various interstitial sites. Our results obtained within the conventional GGA+U approach have been confirmed using an hybrid functional. In order to reveal the surface effects we examined three different possible facets of H-SiNW along [001] direction with a diameter of ~2nm. The energetics of doping and resulting electronic and magnetic properties are examined for all alternative configurations. We found that except Ti, the resulting systems have magnetic ground state with a varying magnetic moment. While H-SiNWs are initially non-magnetic semiconductor, they generally become ferromagnetic metal upon TM doping. Even they posses half-metallic behavior for specific cases. Our results suggest that H-SiNWs can be functionalized by TM impurities which would lead to new electronic and spintronic devices at nanoscale.
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