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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Quantum transport through disordered 1D wires: Conductance via localized and delocalized electrons

Coherent electronic transport through disordered systems, like quantum wires, is a topic of fundamental and practical interest. In particular, the exponential localization of electron wave functions-Anderson localization-due to the presence of disorder has been widely studied. In fact, Anderson localization, is not an phenomenon exclusive to electrons but it has been observed in microwave and acoustic experiments, photonic materials, cold atoms, etc. Nowadays, many properties of electronic transport of quantum wires have been successfully described within a scaling approach to Anderson localization. On the other hand, anomalous localization or delocalization is, in relation to the Anderson problem, a less studied phenomenon. Although one can find signatures of anomalous localization in very different systems in nature. In the problem of electronic transport, a source of delocalization may come from symmetries present in the system and particular disorder configurations, like the so-called Lévy-type disorder. We have developed a theoretical model to describe the statistical properties of transport when electron wave functions are delocalized. In particular, we show that only two physical parameters determine the complete conductance distribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Local structure and polarization resistance of Ce doped SrMnO{sub 3} using extended x-ray fine structure analysis

Changes to the local structure of Sr and Mn atoms in Sr{sub 1−x}Ce{sub x}MnO{sub 3} (SCM) according to increasing Ce content and the effect of the structural change on the polarization resistance of SCM were investigated. The reduction of manganese was confirmed by the absorption edge shift of the Mn K-edge toward lower energies. The noise of oscillation in extended X-ray absorption fine structure k{sup 3}χ data at Mn K-edge reveals the distortion of the local structure of Mn atoms, and the peak that indicates the bonding length of Mn-O, Sr/Ce, and -Mn decreased with the addition of Ce content in Fourier transformations of the Mn K-edge. The distortion of the local structure at Mn atoms was affected by the reduced manganese ions having larger ionic radii than Mn{sup 4+}. Meanwhile, few distortions of local atomic structures of Sr atoms occurred, and the average nearest neighboring distances of Sr-O and Sr-Mn are ∼2.13 Å and ∼2.95 Å, respectively. The average bonding lengths of the Ce-O and Ce-Mn increased because the ionic radius of substituted Ce ion with 12 coordination number is smaller than that of Sr ion, which leads the reduction of Mn ions and the distortion of local structure at the substituted A-site. Therefore, we reasoned that the distortion of the local atomic structure at Mn atoms in MnO{sub 6} and Ce atoms in A-site is one of the causes for interrupting oxygen ion transfers as a geometric factor, which results in an increase in the polarization resistance of SCM within the Ce composition range from 10 mol. % to 30 mol. %.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Quantization of systems with temporally varying discretization. II. Local evolution moves

Several quantum gravity approaches and field theory on an evolving lattice involve a discretization changing dynamics generated by evolution moves. Local evolution moves in variational discrete systems (1) are a generalization of the Pachner evolution moves of simplicial gravity models, (2) update only a small subset of the dynamical data, (3) change the number of kinematical and physical degrees of freedom, and (4) generate a dynamical (or canonical) coarse graining or refining of the underlying discretization. To systematically explore such local moves and their implications in the quantum theory, this article suitably expands the quantum formalism for global evolution moves, constructed in Paper I [P. A. Höhn, “Quantization of systems with temporally varying discretization. I. Evolving Hilbert spaces,” J. Math. Phys. 55, 083508 (2014); e-print http://arxiv.org/abs/arXiv:1401.6062 [gr-qc]], by employing that global moves can be decomposed into sequences of local moves. This formalism is spelled out for systems with Euclidean configuration spaces. Various types of local moves, the different kinds of constraints generated by them, the constraint preservation, and possible divergences in resulting state sums are discussed. It is shown that non-trivial local coarse graining moves entail a non-unitary projection of (physical) Hilbert spaces and “fine grained” Dirac observables defined on them. Identities for undoing a local evolution move with its (time reversed) inverse are derived. Finally, the implications of these results for a Pachner move generated dynamics in simplicial quantum gravity models are commented on.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Quantitative prediction of radio frequency induced local heating derived from measured magnetic field maps in magnetic resonance imaging: A phantom validation at 7 T

Electrical Properties Tomography (EPT) technique utilizes measurable radio frequency (RF) coil induced magnetic fields (B1 fields) in a Magnetic Resonance Imaging (MRI) system to quantitatively reconstruct the local electrical properties (EP) of biological tissues. Information derived from the same data set, e.g., complex numbers of B1 distribution towards electric field calculation, can be used to estimate, on a subject-specific basis, local Specific Absorption Rate (SAR). SAR plays a significant role in RF pulse design for high-field MRI applications, where maximum local tissue heating remains one of the most constraining limits. The purpose of the present work is to investigate the feasibility of such B1-based local SAR estimation, expanding on previously proposed EPT approaches. To this end, B1 calibration was obtained in a gelatin phantom at 7 T with a multi-channel transmit coil, under a particular multi-channel B1-shim setting (B1-shim I). Using this unique set of B1 calibration, local SAR distribution was subsequently predicted for B1-shim I, as well as for another B1-shim setting (B1-shim II), considering a specific set of parameter for a heating MRI protocol consisting of RF pulses plaid at 1% duty cycle. Local SAR results, which could not be directly measured with MRI, were subsequently converted into temperature change which in turn were validated against temperature changes measured by MRI Thermometry based on the proton chemical shift.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Origin of radiative recombination and manifestations of localization effects in GaAs/GaNAs core/shell nanowires

Radiative carrier recombination processes in GaAs/GaNAs core/shell nanowires grown by molecular beam epitaxy on a Si substrate are systematically investigated by employing micro-photoluminescence (μ-PL) and μ-PL excitation (μ-PLE) measurements complemented by time-resolved PL spectroscopy. At low temperatures, alloy disorder is found to cause localization of photo-excited carriers leading to predominance of optical transitions from localized excitons (LE). Some of the local fluctuations in N composition are suggested to lead to strongly localized three-dimensional confining potential equivalent to that for quantum dots, based on the observation of sharp and discrete PL lines within the LE contour. The localization effects are found to have minor influence on PL spectra at room temperature due to thermal activation of the localized excitons to extended states. Under these conditions, photo-excited carrier lifetime is found to be governed by non-radiative recombination via surface states which is somewhat suppressed upon N incorporation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Segment-scale, force-level theory of mesoscopic dynamic localization and entropic elasticity in entangled chain polymer liquids

In this study, we develop a segment-scale, force-based theory for the breakdown of the unentangled Rouse model and subsequent emergence of isotropic mesoscopic localization and entropic elasticity in chain polymer liquids in the absence of ergodicity-restoring anisotropic reptation or activated hopping motion. The theory is formulated in terms of a conformational N-dynamic-order-parameter generalized Langevin equation approach. It is implemented using a universal field-theoretic Gaussian thread model of polymer structure and closed at the level of the chain dynamic second moment matrix. The physical idea is that the isotropic Rouse model fails due to the dynamical emergence, with increasing chain length, of time-persistent intermolecular contacts determined by the combined influence of local uncrossability, long range polymer connectivity, and a self-consistent treatment of chain motion and the dynamic forces that hinder it. For long chain melts, the mesoscopic localization length (identified as the tube diameter) and emergent entropic elasticity predictions are in near quantitative agreement with experiment. Moreover, the onset chain length scales with the semi-dilute crossover concentration with a realistic numerical prefactor. Distinctive novel predictions are made for various off-diagonal correlation functions that quantify the full spatial structure of the dynamically localized polymer conformation. As the local excluded volume constraint and/or intrachain bonding spring are softened to allow chain crossability, the tube diameter is predicted to swell until it reaches the radius-of-gyration at which point mesoscopic localization vanishes in a discontinuous manner. Finally, a dynamic phase diagram for such a delocalization transition is constructed, which is qualitatively consistent with simulations and the classical concept of a critical entanglement degree of polymerization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A density-based continuous local symmetry measure

Although continuous symmetry theory has attracted increasing attention in modern chemistry, local symmetry remains under-investigated. As a consequence, the relationship between symmetry and chemical behavior is often obscured, limiting the practical use of fuzzy symmetry measures. Here, in this study, we introduce a novel framework for evaluating local symmetry based on electron density localization and present continuous symmetry representations for several representative molecules. Our approach not only quantitatively captures global symmetry but also reveals distinctive features of symmetry in a local chemical environment. The related concept, local chirality or chirotopicity, is also discussed. Overall, the proposed local symmetry and chirality measures provide valuable insights into molecular structure and structure–property relationships.

Lai, Duc Anh [Southern Methodist Univ., Dallas, TX↗
DOE OSTI2010

NON-LOCALITY OF HYDRODYNAMIC AND MAGNETOHYDRODYNAMIC TURBULENCE

We compare non-locality of interactions between different scales in hydrodynamic (HD) turbulence and magnetohydrodynamic (MHD) turbulence in a strongly magnetized medium. We use three-dimensional incompressible direct numerical simulations to evaluate non-locality of interactions. Our results show that non-locality in MHD turbulence is much more pronounced than that in HD turbulence. Roughly speaking, non-local interactions count for more than 10% of total interactions in our MHD simulation on a grid of 512{sup 3} points. However, there is no evidence that non-local interactions are important in our HD simulation with the same numerical resolution. We briefly discuss how non-locality affects the energy spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

MORPHOLOGY AND SIZE DIFFERENCES BETWEEN LOCAL AND HIGH-REDSHIFT LUMINOUS INFRARED GALAXIES

We show that the star-forming regions in high-redshift luminous and ultraluminous infrared galaxies (LIRGs and ULIRGs) and submillimeter galaxies (SMGs) have similar physical scales to those in local normal star-forming galaxies. To first order, their higher infrared (IR) luminosities result from higher luminosity surface density. We also find a good correlation between the IR luminosity and IR luminosity surface density in starburst galaxies across over five orders of magnitude of IR luminosity from local normal galaxies to z {approx} 2 SMGs. The intensely star-forming regions of local ULIRGs are significantly smaller than those in their high-redshift counterparts and hence diverge significantly from this correlation, indicating that the ULIRGs found locally are a different population from the high-redshift ULIRGs and SMGs. Based on this relationship, we suggest that luminosity surface density should serve as a more accurate indicator for the IR emitting environment, and hence the observable properties, of star-forming galaxies than their IR luminosity. We demonstrate this approach by showing that ULIRGs at z {approx} 1 and a lensed galaxy at z {approx} 2.5 exhibit aromatic features agreeing with local LIRGs that are an order of magnitude less luminous, but have similar IR luminosity surface density. A consequence of this relationship is that the aromatic emission strength in star-forming galaxies will appear to increase at z>1 for a given IR luminosity compared to their local counterparts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

GROWTH OF A LOCALIZED SEED MAGNETIC FIELD IN A TURBULENT MEDIUM

Turbulence dynamo deals with the amplification of a seed magnetic field in a turbulent medium and has been studied mostly for uniform or spatially homogeneous seed magnetic fields. However, some astrophysical processes (e.g., jets from active galaxies, galactic winds, or ram-pressure stripping in galaxy clusters) can provide localized seed magnetic fields. In this paper, we numerically study amplification of localized seed magnetic fields in a turbulent medium. Throughout the paper, we assume that the driving scale of turbulence is comparable to the size of the system. Our findings are as follows. First, turbulence can amplify a localized seed magnetic field very efficiently. The growth rate of magnetic energy density is as high as that for a uniform seed magnetic field. This result implies that magnetic field ejected from an astrophysical object can be a viable source of a magnetic field in a cluster. Second, the localized seed magnetic field disperses and fills the whole system very fast. If turbulence in a system (e.g., a galaxy cluster or a filament) is driven at large scales, we expect that it takes a few large-eddy turnover times for the magnetic field to fill the whole system. Third, growth and turbulence diffusion of a localized seed magnetic field are also fast in high magnetic Prandtl number turbulence. Fourth, even in decaying turbulence, a localized seed magnetic field can ultimately fill the whole system. Although the dispersal rate of the magnetic field is not fast in purely decaying turbulence, it can be enhanced by an additional forcing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

EVIDENCE FOR A ∼300 MEGAPARSEC SCALE UNDER-DENSITY IN THE LOCAL GALAXY DISTRIBUTION

Galaxy counts and recent measurements of the luminosity density in the near-infrared have indicated the possibility that the local universe may be under-dense on scales of several hundred megaparsecs. The presence of a large-scale under-density in the local universe could introduce significant biases into the interpretation of cosmological observables, and, in particular, into the inferred effects of dark energy on the expansion rate. Here we measure the K-band luminosity density as a function of redshift to test for such a local under-density. For our primary sample in this study, we select galaxies from the UKIDSS Large Area Survey and use spectroscopy from the Sloan Digital Sky Survey (SDSS), the Two-degree Field Galaxy Redshift Survey, the Galaxy And Mass Assembly Survey (GAMA), and other redshift surveys to generate a K-selected catalog of ∼35, 000 galaxies that is ∼95% spectroscopically complete at K{sub AB} < 16.3 (K{sub AB} < 17 in the GAMA fields). To complement this sample at low redshifts, we also analyze a K-selected sample from the 2M++ catalog, which combines Two Micron All Sky Survey (2MASS) photometry with redshifts from the 2MASS redshift survey, the Six-degree Field Galaxy Redshift Survey, and the SDSS. The combination of these samples allows for a detailed measurement of the K-band luminosity density as a function of distance over the redshift range 0.01 < z < 0.2 (radial distances D ∼ 50-800 h{sub 70}{sup -1} Mpc). We find that the overall shape of the z = 0 rest-frame K-band luminosity function (M*-5log (h{sub 70}) = –22.15 ± 0.04 and α = –1.02 ± 0.03) appears to be relatively constant as a function of environment and distance from us. We find a local (z < 0.07, D < 300 h{sub 70}{sup -1} Mpc) luminosity density that is in good agreement with previous studies. Beyond z ∼ 0.07, we detect a rising luminosity density that reaches a value of roughly ∼1.5 times higher than that measured locally at z > 0.1. This suggests that the stellar mass density as a function of distance follows a similar trend. Assuming that luminous matter traces the underlying dark matter distribution, this implies that the local mass density of the universe may be lower than the global mass density on a scale and amplitude sufficient to introduce significant biases into the determination of basic cosmological observables. An under-density of roughly this scale and amplitude could resolve the apparent tension between direct measurements of the Hubble constant and those inferred by Planck.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

LOCALIZATION OF SHORT DURATION GRAVITATIONAL-WAVE TRANSIENTS WITH THE EARLY ADVANCED LIGO AND VIRGO DETECTORS

The Laser Interferometer Gravitational wave Observatory (LIGO) and Virgo advanced ground-based gravitational-wave detectors will begin collecting science data in 2015. With first detections expected to follow, it is important to quantify how well generic gravitational-wave transients can be localized on the sky. This is crucial for correctly identifying electromagnetic counterparts as well as understanding gravitational-wave physics and source populations. We present a study of sky localization capabilities for two search and parameter estimation algorithms: coherent WaveBurst, a constrained likelihood algorithm operating in close to real-time, and LALInferenceBurst, a Markov chain Monte Carlo parameter estimation algorithm developed to recover generic transient signals with latency of a few hours. Furthermore, we focus on the first few years of the advanced detector era, when we expect to only have two (2015) and later three (2016) operational detectors, all below design sensitivity. These detector configurations can produce significantly different sky localizations, which we quantify in detail. We observe a clear improvement in localization of the average detected signal when progressing from two-detector to three-detector networks, as expected. Although localization depends on the waveform morphology, approximately 50% of detected signals would be imaged after observing 100-200 deg{sup 2} in 2015 and 60-110 deg{sup 2} in 2016, although knowledge of the waveform can reduce this to as little as 22 deg{sup 2}. This is the first comprehensive study on sky localization capabilities for generic transients of the early network of advanced LIGO and Virgo detectors, including the early LIGO-only two-detector configuration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A comprehensive archival search for counterparts to ultra-compact high-velocity clouds: Five Local Volume dwarf galaxies

We report five Local Volume dwarf galaxies (two of which are presented here for the first time) uncovered during a comprehensive archival search for optical counterparts to ultra-compact high-velocity clouds (UCHVCs). The UCHVC population of HI clouds are thought to be candidate gas-rich, low-mass halos at the edge of the Local Group and beyond, but no comprehensive search for stellar counterparts to these systems has been presented. Careful visual inspection of all publicly available optical and ultraviolet imaging at the position of the UCHVCs revealed six blue, diffuse counterparts with a morphology consistent with a faint dwarf galaxy beyond the Local Group. Optical spectroscopy of all six candidate dwarf counterparts show that five have an Hα-derived velocity consistent with the coincident HI cloud, confirming their association; the sixth diffuse counterpart is likely a background object. The size and luminosity of the UCHVC dwarfs is consistent with other known Local Volume dwarf irregular galaxies. The gas fraction (M{sub HI}/M{sub star}) of the five dwarfs are generally consistent with that of dwarf irregular galaxies in the Local Volume, although ALFALFA-Dw1 (associated with ALFALFA UCHVC HVC274.68+74.70–123) has a very high M{sub HI}/M{sub star} ∼ 40. Despite the heterogenous nature of our search, we demonstrate that the current dwarf companions to UCHVCs are at the edge of detectability due to their low surface brightness, and that deeper searches are likely to find more stellar systems. If more sensitive searches do not reveal further stellar counterparts to UCHVCs, then the dearth of such systems around the Local Group may be in conflict with ΛCDM simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Reconsidering the effects of local star formation on type Ia supernova cosmology

Recent studies found a correlation with ∼3σ significance between the local star formation measured by GALEX in SN Ia host galaxies and the distances or dispersions derived from these SNe. We search for these effects by using data from recent cosmological analyses to greatly increase the SN Ia sample; we include 179 GALEX-imaged SN Ia hosts with distances from the Joint Light-curve Analysis (JLA) and Pan-STARRS SN Ia cosmology samples and 157 GALEX-imaged SN Ia hosts with distances from the Riess et al. H{sub 0} measurement. We find little evidence that SNe Ia in locally star-forming environments are fainter after light curve correction than SNe Ia in locally passive environments. We find a difference of 0.000 ± 0.018 (stat+sys) mag for SNe fit with SALT2 and 0.029 ± 0.027 (stat+sys) mag for SNe fit with MLCS2k2 (R{sub V}=2.5), which suggests that proposed changes to recent measurements of H{sub 0} and w are not significant and numerically smaller than the parameter measurement uncertainties. We measure systematic uncertainties of ∼0.01–0.02 mag by performing several plausible variants of our analysis. We find the greatly reduced significance of these distance modulus differences compared to Rigault et al. results from two improvements with fairly equal effects, our larger sample size and the use of the JLA and Riess et al. sample selection criteria. Without these improvements, we recover the results of Rigault et al. We find that both populations have similar dispersions in distance than found by Rigault et al. and Kelly et al., with slightly smaller dispersions for locally passive (log(Σ{sub SFR}) < −2.9 dex) SNe Ia fit with MLCS, the opposite of the effect seen by Rigault et al. and Kelly et al. We caution that measuring the local environments of SNe Ia in the future may require a higher resolution instrument than GALEX and that SN Ia sample selection has a significant effect on local star formation biases.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spatial non-locality of electronic correlations beyond GW approximation

The question of spatial locality of electronic correlations beyond GW approximation is one of the central issues of the famous combination of GW and dynamical mean field theory, GW+DMFT. In this study, the above question is addressed directly (for the first time) by performing calculations with and without assumption of locality of the corresponding diagrams. For this purpose we use sc(GW+G3W2) approach where the higher order part (G3W2) is evaluated with fully momentum dependent Green's function G and screened interaction W and with "local" variant, where the single site approximation is assumed for both G and W. For all three materials studied in this work (NiO, α-Ce, LiFeAs), we have found the spatial non-locality effects to be strong. For NiO and LiFeAs they, in fact, are decisive for the proper evaluation of vertex corrections. The results of this study have direct impact on our understanding of approximations made in practical implementations of GW+DMFT method, where all diagrams beyond GW (DMFT part) are assumed to be local. Taking into account the fact that the first diagrams beyond GW represent the most important contribution also in GW+DMFT calculations, we conclude that the basic assumption of GW+DMFT, namely the locality of diagrams evaluated in the DMFT part, is not as good as it is believed to be.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Coulomb’s law corrections and fermion field localization in a tachyonic de Sitter thick braneworld

Following recent studies which show that it is possible to localize gravity as well as scalar and gauge vector fields in a tachyonic de Sitter thick braneworld, we investigate the solution of the gauge hierarchy problem, the localization of fermion fields in this model, the recovering of the Coulomb law on the non-relativistic limit of the Yukawa interaction between bulk fermions and gauge bosons localized in the brane, and confront the predicted 5D corrections to the photon mass with its upper experimental/observational bounds, finding the model physically viable since it passes these tests. In order to achieve the latter aims we first consider the Yukawa interaction term between the fermionic and the tachyonic scalar fields MF(T)ΨΨ-bar in the action and analyze four distinct tachyonic functions F(T) that lead to four different structures of the respective fermionic mass spectra with different physics. In particular, localization of the massless left-chiral fermion zero mode is possible for three of these cases. We further analyze the phenomenology of these Yukawa interactions among fermion fields and gauge bosons localized on the brane and obtain the crucial and necessary information to compute the corrections to Coulomb’s law coming from massive KK vector modes in the non-relativistic limit. These corrections are exponentially suppressed due to the presence of the mass gap in the mass spectrum of the bulk gauge vector field. From our results we conclude that corrections to Coulomb’s law in the thin brane limit have the same form (up to a numerical factor) as far as the left-chiral massless fermion field is localized on the brane. Finally we compute the corrections to the Coulomb’s law for an arbitrarily thick brane scenario which can be interpreted as 5D corrections to the photon mass. By performing consistent estimations with brane phenomenology, we found that the predicted corrections to the photon mass, which are well bounded by the experimentally observed or astrophysically inferred photon mass, are far beyond its upper bound, positively testing the viability of our tachyonic braneworld. Moreover, the 5D parameters that define these corrections possess the same order, providing naturalness to our model, however, a fine-tuning between them is needed in order to fit the corresponding upper bound on the photon mass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

THE STELLAR-TO-HALO MASS RELATION FOR LOCAL GROUP GALAXIES

We contend that a single power-law halo mass distribution is appropriate for direct matching to the stellar masses of observed Local Group dwarf galaxies, allowing the determination of the slope of the stellar mass-halo mass relation for low-mass galaxies. Errors in halo masses are well defined as the Poisson noise of simulated Local Group realizations, which we determine using local volume simulations. For the stellar mass range 10{sup 7} M {sub ☉}<M {sub *} < 10{sup 8} M {sub ☉}, for which we likely have a complete census of observed galaxies, we find that the stellar mass-halo mass relation follows a power law with slope of 3.1, significantly steeper than most values in the literature. This steep relation between stellar and halo masses would indicate that Local Group dwarf galaxies are hosted by dark matter halos with a small range of mass. Our methodology is robust down to the stellar mass to which the census of observed Local Group galaxies is complete, but the significant uncertainty in the currently measured slope of the stellar-to-halo mass relation will decrease dramatically if the Local Group completeness limit was 10{sup 6.5} M {sub ☉} or below, highlighting the importance of pushing such limit to lower masses and larger volumes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Locally self-consistent embedding approach for disordered electronic systems

We introduce an embedding scheme for the locally self-consistent method to study disordered electron systems. We test this approach in a tight-binding basis and apply it to the single band Anderson model. The local interaction zone is used to efficiently compute the local Green's function of a supercell embedded into a local typical medium. We find a quick convergence as the size of the local interaction zone which reduces the computational costs as expected. This method captures the Anderson localization transition and accurately predicts the critical disorder strength. The current work opens the path towards the development of a typical medium embedding scheme for the O(N) multiple scattering methods.

36 MATERIALS SCIENCE↗