Related papers: Wannier Function Perturbation Theory: Localized Re…
We present an efficient {\it ab initio} approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation time approximation, band-resolved electric…
A Chern band is characterized by a Wannier obstruction indicating the absence of a basis of complete, orthogonal, and exponentially-localized states. Here, we study the properties of real space bases of a Chern band obtained by relaxing…
In this paper we present calculations on the electronic band structure of a two-dimensional lateral superlattice subject to a perpendicular magnetic field by employing a projection operator technique based on the ray-group of…
Long, shallow microchannels embedded in thick soft materials are widely used in microfluidic devices for lab-on-a-chip applications. However, the bulging effect caused by fluid--structure interactions between the internal viscous flow and…
A theory for wave mechanical systems with local inversion and translation symmetries is developed employing the two-dimensional solution space of the stationary Schr\"odinger equation. The local symmetries of the potential are encoded into…
Recent development on fractional Chern insulators and proximate phases call for a real space representation of isolated Chern bands. Here we propose a new method for a general construction of optimally localized Wannier functions from such…
The location of electrons governs phenomena ranging from chemical bonding and electric polarization to the topological classification of band insulators and the emergence of correlated states in quantum matter. While a prescription exists…
We propose an improved scheme to construct many-body trial wave functions for fractional Chern insulators (FCI), using one-dimensional localized Wannier basis. The procedure borrows from the original scheme on a continuum cylinder, but is…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
We perform numerical simulations of the dynamical equations for free water surface in finite basin in presence of gravity. Wave Turbulence (WT) is a theory derived for describing statistics of weakly nonlinear waves in the infinite basin…
Spin-orbit coupling in organic crystals is responsible for many spin-relaxation phenomena, going from spin diffusion to intersystem crossing. With the goal of constructing effective spin-orbit Hamiltonians to be used in multiscale…
We consider magnetotransport in a disordered two-dimensional electron gas in the presence of a periodic modulation in one direction. Existing quasiclassical and quantum approaches to this problem account for Weiss oscillations in the…
We have proposed a method for correcting the Kohn-Sham eigen energies in the density functional theory (DFT) based on the Koopmans theorem using Wannier functions. The method provides a general approach applicable for molecules and solids…
We introduce a maximally-localized Wannier function representation of Bloch excitons, two-particle correlated electron-hole excitations, in crystalline solids, where the excitons are maximally-localized with respect to an average…
We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov-de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed…
Linear spin wave theory provides the leading term in the calculation of the excitation spectra of long-range ordered magnetic systems as a function of $1/\sqrt{S}$. This term is acquired using the Holstein-Primakoff approximation of the…
We have developed a practical scheme to construct partly occupied, maximally localized Wannier functions (WFs) for a wide range of systems. We explain and demonstrate how the inclusion of selected unoccupied states in the definition of the…
We evaluate perturbatively the density matrix in the low-temperature limit and thus the ground-state wave function of the anharmonic oscillator up to second order in the coupling constant. We then employ Kleinert's variational perturbation…
A comprehensive theory for electronic transport in itinerant ferromagnets is developed. We first show that the Q-field theory used previously to describe a disordered Fermi liquid also has a saddle-point solution that describes a…
Maximally localized Wannier functions (MLWFs) are widely used to construct first-principles tight-binding models that accurately reproduce the electronic structure of materials. Recently, robust and automated approaches to generate these…