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Results for “disordered systems”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Disorder effect on the anisotropic resistivity of phosphorene determined by a tight-binding model

In this work we develop a compact multiorbital tight-binding model for phosphorene that accurately describes states near the main band gap. The model parameters are adjusted using as reference the band structure obtained by a density functional theory calculation with the hybrid HSE06 functional. We use the optimized tight-binding model to study the effects of disorder on the anisotropic transport properties of phosphorene. In particular, we evaluate how the longitudinal resistivity depends on the lattice orientation for two typical disorder models: dilute scatterers with high potential fluctuation amplitudes, mimicking screened charges in the substrate, and dense scatterers with lower amplitudes, simulating weakly bounded adsorbates. We show that the intrinsic anisotropy associated to the band structure of this material, although sensitive to the type and intensity of the disorder, is robust.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Dual-fermion approach to the Anderson-Hubbard model

In this work, we apply the recently developed dual-fermion algorithm for disordered interacting systems to the Anderson-Hubbard model. This algorithm is compared with dynamical cluster approximation calculations for a one-dimensional system to establish the quality of the approximation in comparison with an established cluster method. We continue with a three-dimensional (3D) system and look at the antiferromagnetic, Mott, and Anderson localization transitions. The dual-fermion approach leads to quantitative as well as qualitative improvement of the dynamical mean-field results, and it allows one to calculate the hysteresis in the double occupancy in 3D, taking into account nonlocal correlations.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Localization landscape theory of disorder in semiconductors. I. Theory and modeling

Here, we present here a model of carrier distribution and transport in semiconductor alloys accounting for quantum localization effects in disordered materials. This model is based on the recent development of a mathematical theory of quantum localization which introduces for each type of carrier a spatial function called localization landscape. These landscapes allow us to predict the localization regions of electron and hole quantum states, their corresponding energies, and the local densities of states. We show how the various outputs of these landscapes can be directly implemented into a drift-diffusion model of carrier transport and into the calculation of absorption/emission transitions. This creates a new computational model which accounts for disorder localization effects while also capturing two major effects of quantum mechanics, namely, the reduction of barrier height (tunneling effect) and the raising of energy ground states (quantum confinement effect), without having to solve the Schrödinger equation. Finally, this model is applied to several one-dimensional structures such as single quantum wells, ordered and disordered superlattices, or multiquantum wells, where comparisons with exact Schrödinger calculations demonstrate the excellent accuracy of the approximation provided by the landscape theory.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Two-dimensional conductors with interactions and disorder from particle-vortex duality

Here, we study Dirac fermions in two spatial dimensions (2D) coupled to strongly fluctuating U (1) gauge fields in the presence of quenched disorder. Such systems are dual to theories of free Dirac fermions, which are vortices of the original theory. In analogy to superconductivity, when these fermionic vortices localize, the original system becomes a perfect conductor, and when the vortices possess a finite conductivity, the original fermions do as well. We provide several realizations of this principle and thereby introduce examples of strongly interacting 2D metals that evade Anderson localization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Many-body localization in Landau-level subbands

We explore the problem of localization in topological and nontopological nearly-flat subbands derived from the lowest Landau level, in the presence of quenched disorder and short-range interactions. We consider two models: a suitably engineered periodic potential and randomly distributed pointlike impurities. We perform numerical exact diagonalization on a torus geometry and use the mean level spacing ratio < r > as a diagnostic of ergodicity. For topological subbands, we find there is no ergodicity breaking in both the one- and two-dimensional thermodynamic limits. For nontopological subbands, in contrast, we find evidence of an ergodicity breaking transition at finite disorder strength in the one-dimensional thermodynamic limit. Intriguingly, indications of similar behavior in the two-dimensional thermodynamic limit are found as well. Here, this constitutes a novel, continuum setting for the study of the many-body localization transition in one and two dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Shape of the zeroth Landau level in graphene with nondiagonal disorder

Nondiagonal (bond) disorder in graphene broadens Landau levels (LLs) in the same way as random potential. The exception is the zeroth LL, n = 0, which is robust to the bond disorder, since it does not mix different n = 0 states within a given valley. Here, the mechanism of broadening of the n = 0 LL is the intervalley scattering. Several numerical simulations of graphene with bond disorder had established that n = 0 LL is not only anomalously narrow but also that its shape is very peculiar with three maxima, one at zero energy, E = 0, and two others at finite energies ± E. We study theoretically the structure of the states in n = 0 LL in the presence of bond disorder. Adopting the assumption that the bond disorder is strongly anisotropic, namely, that one type of bonds is perturbed much stronger than other two, allowed us to get an analytic expression for the density of states which agrees with numerical simulations remarkably well. On the qualitative level, our key finding is that delocalization of the E = 0 state has a dramatic back effect on the density of states near E = 0. The origin of this unusual behavior is the strong correlation of eigenstates in different valleys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magneto-Coulomb Drag and Hall Drag in Double-Layer Dirac Systems

We develop a theory of Coulomb drag due to momentum transfer between graphene layers in a strong magnetic field. The theory is intended to apply in systems with disorder that is weak compared to Landau level separation, so that Landau level mixing is weak but strong compared to correlation energies within a single Landau level, so that fractional quantum Hall physics is not relevant. We find that, in contrast to the zero-field limit, the longitudinal magneto-Coulomb drag is finite and, in fact, attains a maximum at the simultaneous charge neutrality point (CNP) of both layers. Our theory also predicts a sizable Hall drag resistivity at densities away from the CNP.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Scaling Law Describes the Spin-Glass Response in Theory, Experiments, and Simulations

The correlation length ξ, a key quantity in glassy dynamics, can now be precisely measured for spin glasses both in experiments and in simulations. However, known analysis methods lead to discrepancies either for large external fields or close to the glass temperature. We solve this problem by introducing a scaling law that takes into account both the magnetic field and the time-dependent spin-glass correlation length. Here, the scaling law is successfully tested against experimental measurements in a CuMn single crystal and against large-scale simulations on the Janus II dedicated computer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Delocalization Transition of a Disordered Axion Insulator

The axion insulator is a higher-order topological insulator protected by inversion symmetry. We show that, under quenched disorder respecting inversion symmetry on average, the topology of the axion insulator stays robust, and an intermediate metallic phase in which states are delocalized is unavoidable at the transition from an axion insulator to a trivial insulator. We derive this conclusion from general arguments, from classical percolation theory, and from the numerical study of a 3D quantum network model simulating a disordered axion insulator through a layer construction. We find the localization length critical exponent near the delocalization transition to be ν = 1.42 ± 0.12. We further show that this delocalization transition is stable even to weak breaking of the average inversion symmetry, up to a critical strength. Finally, we also quantitatively map our quantum network model to an effective Hamiltonian and we find its low-energy k ∙ p expansion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Using Disorder to Identify Bogoliubov Fermi-Surface States

We argue that a superconducting state with a Fermi surface of Bogoliubov quasiparticles, a Bogoliubov Fermi surface (BG-FS), can be identified by the dependence of physical quantities on disorder. In particular, we show that a linear dependence of the residual density of states at weak disorder distinguishes a BG-FS state from other nodal superconducting states. We further demonstrate the stability of supercurrent against impurities and a characteristic Drude-like behavior of the optical conductivity. Our results can be directly applied to electron irradiation experiments on candidate materials of BG-FSs, including Sr 2 RuO 4 , FeSe 1-x S x , and UBe 13 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Breaking Rayleigh’s Law with Spatially Correlated Disorder to Control Phonon Transport

Controlling thermal transport in insulators and semiconductors is crucial for many technological fields such as thermoelectrics and thermal insulation, for which a low thermal conductivity (κ) is desirable. A major obstacle for realizing low κ materials is Rayleigh’s law, which implies that acoustic phonons, which carry most of the heat, are insensitive to scattering by point defects at low energy. We demonstrate, with large scale simulations on tens of millions of atoms, that isotropic long-range spatial correlations in the defect distribution can dramatically reduce phonon lifetimes of important low-frequency heat-carrying modes, leading to a large reduction of κ—potentially an order of magnitude at room temperature. We propose a general and quantitative framework for controlling thermal transport in complex functional materials through structural spatial correlations, and we establish the optimal functional form of spatial correlations that minimize κ. Finally, we end by briefly discussing experimental realizations of various correlated structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma

The average ionization state is a critical parameter in plasma models for charged particle transport, equations of state, and optical response. The dynamical or nonadiabatic Born effective charge (NBEC), calculated via first principles time-dependent density-functional theory, provides exact ionic partitioning of bulk electron response for both metallic and insulating materials. The NBEC can be transformed into a “group conductivity,” i.e., the electron conductivity ascribed to a subset of ions. We show that for disordered metallic systems, such as warm dense matter (WDM) and hot dense plasma, the static limit of the NBEC is different from the average ionization states, but that the ionization state can be extracted from the group conductivity even in mixed systems. Here we demonstrate this approach using a set of archetypical examples, including cold and warm aluminium, low- and high-density WDM carbon, and a WDM carbon-beryllium-hydrogen mixture.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Blue-green emission from epitaxial yet cation-disordered ZnGeN 2 - x O x

ZnGeN 2 offers a low-cost alternative to InGaN with the potential for band-gap tuning to span the green gap using cation site ordering. The addition of oxygen on the anion site creates an additional degree of electronic tunability. Here, we investigate the structure and optoelectronic properties of an epitaxial ZnGeN 2-x O x thin film library grown by combinatorial co-sputtering on c-Al 2 O 3 . Samples exhibit x-ray diffraction patterns and x-ray pole figures characteristic of a wurtzite (cation-disordered) structure with the expected sixfold in-plane symmetry. Transmission electron microscopy reveals a semicoherent interface with periodic dislocations that relieve strain from the large lattice mismatch and also confirms the in-plane and out-of-plane crystallographic orientation. Room-temperature photoluminescence exhibits peaks between 2.4 and 2.8 eV which are consistent with a sharp absorption onset observed by UV-vis spectroscopy. These results demonstrate low-cost synthesis of optically active yet cation disordered ZnGeN 2-x O x , indicating a path toward application as a blue-green emitter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗