相关论文: Maximally-localized Wannier functions for disorder…
A robust, user-friendly, and automated method to determine quantum conductance in disordered quasi-one-dimensional systems is presented. The scheme relies upon an initial density- functional theory calculation in a specific geometry after…
Maximally-localized Wannier functions (MLWFs) are widely employed as an essential tool for calculating the physical properties of materials due to their localized nature and computational efficiency. Projectability-disentangled Wannier…
We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the interatomic force constants and find an unphysical feature of the…
Maximally localized Wannier functions (MLWFs) are conventionally constructed by iteratively minimizing a spread functional over a high-dimensional gauge landscape. In this work, we present a non-variational constructive algorithm that…
We have constructed maximally-localized Wannier functions for prototype structures of solid molecular hydrogen under pressure, starting from LDA and tight-binding Bloch wave functions. Each occupied Wannier function can be associated with…
Disorder plays a crucial role in many systems particularly in solid state physics. However, the disorder in a particular system can usually not be chosen or controlled. We show that the unique control available for ultracold atomic gases…
We study the spatial structure of wave functions with exceptionally high local amplitudes in the Anderson model of localisation. By means of exact diagonalisations of finite systems, we obtain and analyse images of these wave functions: we…
We introduce a Wannier-type formulation of periodic local vibrational mode theory that yields real-space-localized vibrational modes associated with individual internal coordinates in crystalline solids. These modes are constructed as…
Wannier functions have widespread utility in condensed matter physics and beyond. Topological physics, on the other hand, has largely involved the related notion of compactly-supported Wannier-type functions, which arise naturally in flat…
We present a new and efficient optimization method to determine the structure of disordered systems in agreement with available experimental data. Our approach permits the application of accurate electronic structure calculations within the…
It is widely accepted in the materials modeling community that defect-free realistic networks of amorphous silicon cannot be prepared by quenching from a molten state of silicon using classical or ab initio molecular-dynamics (MD)…
Localized Wannier functions provide an efficient and intuitive means by which to compute dielectric properties from first principles. They are most commonly constructed in a post-processing step, following total-energy minimization.…
Tight-binding models for ultracold atoms in optical lattices can be properly defined by using the concept of maximally localized Wannier functions for composite bands. The basic principles of this approach are reviewed here, along with…
By employing Random Matrix Theory (RMT) and first-principle calculations, we investigated the behavior of Anderson localization in 1D, 2D and 3D systems characterized by a varying disorder. In particular, we considered random binary layer…
The weak localization (WL) contribution to the two-level correlation function is calculated for two-dimensional disordered conductors. Our analysis extends to the nondiffusive (ballistic) regime, where the elastic mean path is of order of…
Localization due to disorder has been one of the most intriguing theoretical concepts evolved in condensed matter. Here, we expand the theory of localization by considering two types of disorder at the same time, namely the original…
With its monoelemental composition, various crystalline forms and an inherently strong spin-orbit coupling, bismuth has been regarded as an ideal prototype material to expand our understanding of topological electronic structures. In…
We propose to observe Anderson localization of ultracold atoms in the presence of a random potential made of atoms of another species and trapped at the nodes of an optical lattice, with a filling factor less than unity. Such systems enable…
Wannier functions that are maximally localized help in understanding many properties of crystalline materials. In the absence of topological obstructions, they are at least exponentially localized. In some cases such as flat-band…
In this paper, we study the localization phenomena in a slender cylinder composed of an incompressible hyperelastic material subjected to axial tension. We aim to construct the analytical solutions based on a three-dimensional setting and…