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arXiv2013

Surface parameters of ferritic iron-rich Fe-Cr alloy

Using first-principles density functional theory in the implementation of the exact muffin-tin orbitals method and the coherent potential approximation, we studied the surface energy and the surface stress of the thermodynamically most stable surface facet (100) of the homogeneous disordered body-centred cubic iron-chromium system in the concentration interval up to 20 at.% Cr. For the low-index surface facets of Fe and Cr, the surface energy of Cr is slightly larger than the one of Fe, while the surface stress of Cr is considerably smaller than the one of Fe. We find that Cr addition to Fe generally increases the surface energy of the Fe-Cr alloy, however, an increase of the bulk amount of Cr also increases the surface stress. As a result of this unexpected trend, the (100) surface of Fe-Cr becomes more stable against reconstruction with increasing Cr concentration. We show that the observed trends are of magnetic origin. In addition to the homogeneous alloy case, we also investigated the impact of surface segregation on both surface parameters.

cond-mat.mtrl-sci↗

arXiv2013

The origin of diffuse scattering in crystalline carbon tetraiodide

Total scattering neutron powder diffraction measurements were performed on the tetragonal phase (a=6.4202(5) Å, c=9.5762(12) Å) of $CI_4$. The experiments were followed by Reverse Monte Carlo (for POWder diffraction (RMCPOW)) modeling. Detailed analyses of the resulting particle configurations revealed that the observed diffuse scattering originates from the libration of the molecules. By examining the partial radial distribution functions a distinct carbon-iodine peak at 4.5 Å is found, which appears as a consequence of corner-to-face mutual alignment of two molecules. The occurrence of edge-to-edge alignments is also significant within the first carbon-carbon coordination shell.

cond-mat.dis-nn↗

arXiv2013

Scattering by linear defects in graphene: a tight-binding approach

We develop an analytical scattering formalism for computing the transmittance through periodic defect lines within the tight-binding model of graphene. We first illustrate the method with a relatively simple case, the pentagon-only defect line. Afterwards, more complex defect lines are treated, namely the zz(558) and the zz(5757) ones. The formalism developed, only uses simple tight-binding concepts, reducing the problem to matrix manipulations which can be easily worked out by any computational algebraic calculator.

cond-mat.mes-hall↗

arXiv2014

Effective Cluster Typical Medium Theory for Diagonal Anderson Disorder Model in One- and Two-Dimensions

We develop a cluster typical medium theory to study localization in disordered electronic systems. Our formalism is able to incorporate non-local correlations beyond the local typical medium theory in a systematic way. The cluster typical medium theory utilizes the momentum resolved typical density of states and hybridization function to characterize the localization transition. We apply the formalism to the Anderson model of localization in one- and two-dimensions. In one dimension, we find that the critical disorder strength scales inversely with the linear cluster size with a power-law, $W_c \sim (1/L_c)^{1/ν}$; whereas in two dimensions, the critical disorder strength decreases logarithmically with the linear cluster size. Our results are consistent with previous numerical work and in agreement with the one-parameter scaling theory.

cond-mat.dis-nn↗

arXiv2014

Ballistic Heat Conduction and Mass Disorder in One Dimension

It is well-known that in the disordered harmonic chain, heat conduction is subballistic and the thermal conductivity ($κ$) scales asymptotically as $\lim_{L\rightarrow\infty}κ\propto L^{0.5}$ where $L$ is the chain length. However, using the nonequilibrium Green's function (NEGF) method and analytical modeling, we show that there exists a critical crossover length scale ($L_{C}$) below which ballistic heat conduction ($κ\propto L$) can coexist with mass disorder. This ballistic-to-subballistic heat conduction crossover is connected to the exponential attenuation of the phonon transmittance function $Ξ$ i.e. $Ξ(ω,L)=\exp[-L/λ(ω)]$, where $λ$ is the frequency-dependent attenuation length. The crossover length can be determined from the minimum attenuation length which depends on the maximum transmitted frequency. We numerically determine the dependence of the transmittance on frequency and mass composition as well as derive a closed form estimate which agrees closely with the numerical results. For the length-dependent thermal conductance, we also derive a closed form expression which agrees closely with numerical results and reproduces the ballistic to subballistic thermal conduction crossover. This allows us to characterize the crossover in terms of changes in the length, mass composition and temperature dependence, and also to determine the conditions under which heat conduction enters the ballistic regime. We describe how the mass composition can be modified to increase ballistic heat conduction

cond-mat.mes-hall↗

arXiv2014

Unusual electronic properties of clean and disordered zigzag graphene nanoribbons

We revisit the problem of electron transport in clean and disordered zigzag graphene nanoribbons, and expose numerous hitherto unknown peculiar properties of these systems at zero energy, where both sublattices decouple because of chiral symmetry. For clean ribbons, we give a quantitative description of the unusual power-law dispersion of the central energy bands and of its main consequences, including the strong divergence of the density of states near zero energy, and the vanishing of the transverse localization length of the corresponding edge states. In the presence of off-diagonal disorder, which respects the lattice chiral symmetry, all zero-energy localization properties are found to be anomalous. Recasting the problem in terms of coupled Brownian motions enables us to derive numerous asymptotic results by analytical means. In particular the typical conductance $g_N$ of a disordered sample of width $N$ and length $L$ is shown to decay as $\exp(-C_Nw\sqrt{L})$, for arbitrary values of the disorder strength $w$, while the relative variance of $\ln g_N$ approaches a non-trivial constant $K_N$. The dependence of the constants $C_N$ and $K_N$ on the ribbon width $N$ is predicted. From the mere viewpoint of the transfer-matrix formalism, zigzag ribbons provide a case study with many unusual features. The transfer matrix describing propagation through one unit cell of a clean ribbon is not diagonalizable at zero energy. In the disordered case, we encounter non-trivial random matrix products such that all Lyapunov exponents vanish identically.

cond-mat.mes-hall↗

arXiv2019

Simple probability distributions on a Fock-space lattice

We consider some aspects of a standard model employed in studies of many-body localization: interacting spinless fermions with quenched disorder, for non-zero filling fraction, here on $d$-dimensional lattices. The model may be recast as an equivalent tight-binding model on a `Fock-space (FS) lattice' with an extensive local connectivity. In the thermodynamic limit exact results are obtained for the distributions of local FS coordination numbers, FS site-energies, and the density of many-body states. All such distributions are well captured by exact diagonalization on the modest system sizes amenable to numerics. Care is however required in choosing the appropriate variance for the eigenvalue distribution, which has implications for reliable identification of mobility edges.

cond-mat.str-el↗

arXiv2019

Spectral Functions of One-Dimensional Systems with Correlated Disorder

We investigate the spectral function of Bloch states in an one-dimensional tight-binding non-interacting chain with two different models of static correlated disorder, at zero temperature. We report numerical calculations of the single-particle spectral function based on the Kernel Polynomial Method, which has an $\mathcal{O}(N)$ computational complexity. These results are then confirmed by analytical calculations, where precise conditions were obtained for the appearance of a classical limit in a single-band lattice system. Spatial correlations in the disordered potential give rise to non-perturbative spectral functions shaped as the probability distribution of the random on-site energies, even at low disorder strengths. In the case of disordered potentials with an algebraic power-spectrum, $\propto\left|k\right|^{-α}$, we show that the spectral function is not self-averaging for $α\geq1$.

cond-mat.dis-nn↗

arXiv2019

Engineering magnetoresistance: A new perspective

A new proposal is given to achieve high degree of magnetoresistance (MR) in a magnetic quantum device where two magnetic layers are separated by a non-magnetic (NM) quasiperiodic layer that acts as a spacer. The NM spacer is chosen in the form of well-known Aubry-André or Harper (AAH) model which essentially gives the non-trivial features in MR due to its gaped spectrum and yields the opportunities of controlling MR selectively by tuning the AAH phase externally. We also explore the role of dephasing on magnetotransport to make the model more realistic. Finally, we illustrate the experimental possibilities of our proposed quantum system.

cond-mat.mes-hall↗

arXiv2019

Phononic Topological States in 1D Quasicrystals

We theoretically analyze the spectrum of phonons of a one-dimensional quasiperiodic lattice. We simulate the quasicrystal from the classic system of spring-bound atoms with a force constant modulated by the Aubry-André model, so that its value is slightly different in each site of the lattice. From the equations of motion, we obtained the equivalent phonon spectrum of the Hofstadter butterfly, characterizing a multifractal. In this spectrum, we obtained the extended, critical and localized regimes, and we observed that the multifractal characteristic is sensitive to the number of atoms and the $λ$ parameter of our model. We also verified the presence of border states for phonons, where some modes in the system boundaries present vibrations. Through the measurement of localization of the individual displacements in each site, we verify the presence of a phase transition through the Inverse Participation Rate (IPR) for $λ= 1.0 $, where the system changes from extended to localized.

cond-mat.dis-nn↗

arXiv2021

Classification of symmetry-protected topological many-body localized phases in one dimension

We provide a classification of symmetry-protected topological (SPT) phases of many-body localized (MBL) spin and fermionic systems in one dimension. For spin systems, using tensor networks we show that all eigenstates of these phases have the same topological index as defined for SPT ground states. For unitary on-site symmetries, the MBL phases are thus labeled by the elements of the second cohomology group of the symmetry group. A similar classification is obtained for anti-unitary on-site symmetries, time-reversal symmetry being a special case with a $\mathbb{Z}_2$ classification (cf. [Phys. Rev. B 98, 054204 (2018)]). For the classification of fermionic MBL phases, we propose a fermionic tensor network diagrammatic formulation. We find that fermionic MBL systems with an (anti-)unitary symmetry are classified by the elements of the (generalized) second cohomology group if parity is included into the symmetry group. However, our approach misses a $\mathbb{Z}_2$ topological index expected from the classification of fermionic SPT ground states. Furthermore, we show that all found phases are stable to arbitrary symmetry-preserving local perturbations. Conversely, different topological phases must be separated by a transition marked by delocalized eigenstates. Finally, we demonstrate that the classification of spin systems is complete in the sense that there cannot be any additional topological indices pertaining to the properties of individual eigenstates, but there can be additional topological indices that further classify Hamiltonians.

cond-mat.dis-nn↗

arXiv2022

Topological delocalization transitions and mobility edges in the nonreciprocal Maryland model

Non-Hermitian effects could trigger spectrum, localization and topological phase transitions in quasiperiodic lattices. We propose a non-Hermitian extension of the Maryland model, which forms a paradigm in the study of localization and quantum chaos by introducing asymmetry to its hopping amplitudes. The resulting nonreciprocal Maryland model is found to possess a real-to-complex spectrum transition at a finite amount of hopping asymmetry, through which it changes from a localized phase to a mobility edge phase. Explicit expressions of the complex energy dispersions, phase boundaries and mobility edges are found. A topological winding number is further introduced to characterize the transition between different phases. Our work introduces a unique type of non-Hermitian quasicrystal, which admits exactly obtainable phase diagrams, mobility edges, and holding no extended phases at finite nonreciprocity in the thermodynamic limit.

quant-ph↗

arXiv2022

Theory of sound attenuation in amorphous solids from nonaffine motions

We present a theoretical derivation of acoustic phonon damping in amorphous solids based on the nonaffine response formalism for the viscoelasticity of amorphous solids. The analytical theory takes into account the nonaffine displacements in transverse waves and is able to predict both the ubiquitous low-energy diffusive damping $\sim k^{2}$, as well as a novel contribution to the Rayleigh damping $\sim k^{4}$ at higher wavevectors and the crossover between the two regimes observed experimentally. The coefficient of the diffusive term is proportional to the microscopic viscous (Langevin-type) damping in particle motion (which arises from anharmonicity), and to the nonaffine correction to the static shear modulus, whereas the Rayleigh damping emerges in the limit of low anharmonicity, consistent with previous observations and macroscopic models. Importantly, the $k^4$ Rayleigh contribution derived here does not arise from harmonic disorder or elastic heterogeneity effects and it is the dominant mechanism for sound attenuation in amorphous solids as recently suggested by molecular simulations.

cond-mat.soft↗

arXiv2018

Many-body localization, symmetry, and topology

We review recent developments in the study of out-of-equilibrium topological states of matter in isolated systems. The phenomenon of many-body localization, exhibited by some isolated systems usually in the presence of quenched disorder, prevents systems from equilibrating to a thermal state where the delicate quantum correlations necessary for topological order are often washed out. Instead, many-body localized systems can exhibit a type of eigenstate phase structure wherein their entire many-body spectrum is characterized by various types of quantum order, usually restricted to quantum ground states. After introducing many-body localization and explaining how it can protect quantum order, we then explore how the interplay of symmetry and dimensionality with many-body localization constrains its role in stabilizing topological phases out of equilibrium.

cond-mat.dis-nn↗

arXiv2013

Double percolation effects and fractal behavior in magnetic/superconducting hybrids

Perpendicular magnetic anisotropy ferromagnetic/ superconducting (FM/SC) bilayers with a labyrinth domain structure are used to study nucleation of superconductivity on a fractal network, tunable through magnetic history. As clusters of reversed domains appear in the FM layer, the SC film shows a percolative behavior that depends on two independent processes: the arrangement of initial reversed domains and the fractal geometry of expanding clusters. For a full labyrinth structure, the behavior of the upper critical field is typical of confined superconductivity on a fractal network.

cond-mat.supr-con↗

arXiv2013

Quantum transport of atomic matterwaves in anisotropic 2D and 3D disorder

The macroscopic transport properties in a disordered potential, namely diffusion and weak/strong localization, closely depend on the microscopic and statistical properties of the disorder itself. This dependence is rich of counter-intuitive consequences. It can be particularly exploited in matter wave experiments, where the disordered potential can be tailored and controlled, and anisotropies are naturally present. In this work, we apply a perturbative microscopic transport theory and the self-consistent theory of Anderson localization to study the transport properties of ultracold atoms in anisotropic 2D and 3D speckle potentials. In particular, we discuss the anisotropy of single-scattering, diffusion and localization. We also calculate a disorder-induced shift of the energy states and propose a method to include it, which amounts to renormalize energies in the standard on-shell approximation. We show that the renormalization of energies strongly affects the prediction for the 3D localization threshold (mobility edge). We illustrate the theoretical findings with examples which are revelant for current matter wave experiments, where the disorder is created with a laser speckle. This paper provides a guideline for future experiments aiming at the precise location of the 3D mobility edge and study of anisotropic diffusion and localization effects in 2D and 3D.

cond-mat.dis-nn↗

arXiv2013

Superfluid clusters, percolation and phase transitions in the disordered, two dimensional Bose-Hubbard model

The Bose glass (BG) phase is the Griffiths region of the disordered Bose Hubbard model (BHM), characterized by finite, quasi-superfluid clusters within a Mott insulating background. We propose to utilize this characterization to identify the complete zero-temperature phase diagram of the disordered BHM in $d\ge2$ dimensions by analyzing the geometric properties of what we call superfluid (SF) clusters, which are defined to be clusters of sites with non-integer expectation values for the local boson occupation number. The Mott insulator (MI) phase then is the region in the phase diagram where no SF clusters exist, and the SF phase the region, where SF clusters percolate - the BG phase is in between: SF clusters exist, but do not percolate. This definition is particularly useful in the context of local mean field (LMF, or Gutzwiller-Ansatz) calculations, where we show that an identification of the phases on the basis of global quantities like the averaged SF order parameter and the compressibility are misleading. We apply the SF cluster analysis to the LMF ground states of the two dimensional disordered BHM to produce its phase diagram and find a) an excellent agreement with the phase diagram predicted on the basis of quantum Monte Carlo simulations for the commensurate density $n=1$, and b) large differences to stochastic mean field and other mean field predictions for fixed disorder strength. The relation of the percolation transition of the SF clusters with the onset of non-vanishing SF stiffness indicating the BG to SF transition is discussed.

cond-mat.dis-nn↗

arXiv2013

Multifractality and quantum-to-classical crossover in the Coulomb anomaly at the Mott-Anderson metal-insulator transition

We study the interaction driven localization transition, which a recent experiment in Ga_{1-x}Mn_xAs As has shown to come along with multifractal behavior of the local density of states (LDoS) and the intriguing persistence of critical correlations close to the Fermi level. We show that the bulk of these phenomena can be understood within a Hartree-Fock treatment of disordered, Coulomb-interacting spinless fermions. A scaling analysis of the LDoS correlation demonstrates multifractality with correlation dimension d_2=1.57, which is significantly larger than at a non-interacting Anderson transition. At the interaction-driven transition the states at the Fermi level become critical, while the bulk of the spectrum remains delocalized up to substantially stronger interactions. The mobility edge stays close to the Fermi energy in a wide range of disorder strength, as the interaction strength is further increased. The localization transition is concomitant with the quantum-to-classical crossover in the shape of the pseudo-gap in the tunneling density of states, and with the proliferation of metastable HF solutions that suggest the onset of a glassy regime with poor screening properties.

cond-mat.str-el↗