Related papers: Local distribution approach to disordered binary a…
We present a Bloch modes' based Green's function scattering formalism for cost efficient forward modelling of disordered binary surface textures. The usage of Bloch modes of an unperturbed reference ordered system as ansatz allows our…
The technological performances of metallic compounds are largely influenced by atomic ordering. Although there is a general consensus that successful theories of metallic systems should account for the quantum nature of the electronic glue,…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
We study a model for a quantum Ising spin glass in two space dimensions by Monte Carlo simulations. In the disordered phase at $T=0$, we find power law distributions of the local susceptibility and local non-linear susceptibility, which are…
Computer simulations give precious insight into the microscopic behavior of supercooled liquids and glasses, but their typical time scales are orders of magnitude shorter than the experimentally relevant ones. We recently closed this gap…
We examine the standard model of many-body localization (MBL), i.e., the disordered chain of interacting spinless fermions, by representing it as the network in the many-body (MB) basis of noninteracting localized Anderson states. By…
Percolation theory is applied to the phase-transition dynamics of domain pattern formation in segregating binary Bose--Einstein condensates in quasi-two-dimensional systems. Our finite-size-scaling analysis shows that the percolation…
We numerically investigate how electron-electron interactions influence the transport properties of disordered electrons in two dimensions. Our study is based on the quantum Coulomb glass model appropriately generalized to include the spin…
We study in this paper the localization of light and the dielectric properties of thin metal-dielectric composites at the percolation threshold and around a resonant frequency where the conductivities of the two components are of the same…
A real space diagrammatic method, which is an extension of the Berezinskii technique to problems with periodic boundary condition, is formulated to study the density of states (DOS) \rho(\epsilon,\phi) and its moments for a one-channel…
A numerical method for calculation electronic structure of a nanosystem composed of a pseudoisocyanine (PIC) molecule assembled on a silver nanoparticle is developed. The electronic structure of the silver nanoparticle containing 125 atoms…
We present a thorough analysis of the electron density distribution (shape) of two electrons, confined in the three-dimensional harmonic oscillator potential, as a function of the perpendicular magnetic field.Explicit algebraic expressions…
We investigate a modified Anderson model to study the local density of states (LDOS) of a molecular wire adsorbed on a metal. Using a self-consistent mean-field type approach we find an exponential decay of the LDOS along the molecule. A…
We examine a novel type of disorder in quantum antiferromagnets. Our model consists of localized spins with antiferromagnetic exchanges on a bipartite quasiperiodic structure, which is geometrically disordered in such a way that no…
Spontaneous strain localization occurs during mechanical tests of a model amorphous solid simulated using molecular dynamics. The degree of localization depends upon the extent of structural relaxation prior to mechanical testing. In the…
We report quantum Hall effect breakdown of a local filling factor v_local = 1 state formed in a bulk v_bulk = 2 system in an AlGaAs/GaAs heterostructure. When a finite source-drain bias is applied across the local system, the breakdown…
Numerical aspects of large-scale electronic state calculation are explored on flexible organic device materials. Physical theory, numerical method and real application studies are discussed in the context of…
Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…
Blending of semiconductors for controlling the energy levels (band structure engineering) is an important technique, in particular, for optoelectronic applications. The underlying physics is the delocalized Bloch states, which average over…
A two-dimensional, transient, multi-scale modeling approach is presented for predicting the magnitude and rate of percolation segregation for binary mixtures of granular material in a rotating drum and conical hopper. The model utilizes…