Related papers: Local distribution approach to disordered binary a…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
We calculate the density of states of a binary Lennard-Jones glass using a recently proposed Monte Carlo algorithm. Unlike traditional molecular simulation approaches, the algorithm samples distinct configurations according to…
A random matrix theory approach is applied in order to analyze the localization properties of local spectral density for a generic system of coupled quantum states with strong static imperfection in the unperturbed energy levels. The system…
Diffusion of atoms in solids is one of the most fundamental kinetic processes that ultimately governs many materials properties. Here, we report on a combined first-principles and kinetic Monte Carlo study of macroscopic diffusion…
The impact of local reflection symmetry on wave localization and transport within finite disordered chains is investigated. Local symmetries thereby play the role of a spatial correlation of variable range in the finite system. We find…
We investigate the local density of states and Friedel oscillation in graphene around a well localized impurity in Born approximation. In our analytical calculations Green's function technique has been used taking into account both the…
Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in…
We consider elastic reflection and transmission of electrons by a disordered system characterized by a $2N\!\times\!2N$ scattering matrix $S$. Expressing $S$ in terms of the $N$ radial parameters and of the four $N\!\times\!N$ unitary…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
We study a two-dimensional cylindrically-symmetric electron droplet separated from a surrounding electron ring by a tunable barrier using the exact diagonalization method. The magnetic field is assumed strong so that the electrons become…
In a recent article (P.Wochner et al., PNAS (2009)) x-ray scattering intensity correlations around a ring, in the speckle diffraction pattern of a colloidal glass, were shown to display a remarkable ~ cos(n $\phi$) dependence on the angular…
We study phase segregation in a model alloy undergoing both ordering and decomposition, using computer simulations of Kawasaki exchange dynamics on a square lattice. Following a quench into the miscibility gap we observe an early stage in…
We systematically investigate the ground-state properties of self-bound droplets of quasi-two-dimensional binary Bose gases by using the Gaussian state theory. We find that quantum droplets consists two macroscopic squeezed phases and a…
The anisotropy parameter of two-dimensional equilibrium clusters of site percolation process in long-range self-affine correlated structures are studied numerically. We use a fractional Brownian Motion(FBM) statistic to produce both…
The existence (or not) of infinite clusters is explored for two stochastic models of intersecting line segments in $d \ge 2$ dimensions. Salient features of the phase diagram are established in each case. The models are based on site…
We investigate a tight-binding electronic chain featuring diagonal and off-diagonal disorder, these being modelled through the long-range-correlated fractional Brownian motion. Particularly, by employing exact diagonalization methods, we…
We study the equilibration behavior following local quenches, using frustrated quantum spin chains as an example of interacting closed quantum systems. Specifically, we examine the statistics of the time series of the Loschmidt echo, the…
Electron transport through disordered quasi one-dimensional quantum systems is studied. Decoherence is taken into account by a spatial distribution of virtual reservoirs, which represent local interactions of the conduction electrons with…
Quantum percolation describes the problem of a quantum particle moving through a disordered system. While certain similarities to classical percolation exist, the quantum case has additional complexity due to the possibility of Anderson…
Modeling nanoscale devices quantum mechanically is a computationally challenging problem where new methods to solve the underlying equations are in a dire need. In this paper, we present an approach to calculate the charge density in…