Related papers: Optimally Localized Wannier Functions for 2D Chern…
We study the localization properties of the equal-time electron Green's function in a Chern insulator in an arbitrary dimension and with an arbitrary number of bands. We prove that the Green's function cannot decay super-exponentially if…
We present a formal expression for Wannier functions of composite bands of 1-D Bloch electrons in terms of parallel-transported Bloch functions and their non-Abelian geometric phases. Spatial decay properties of these Wannier functions are…
A new method for the localization of crystalline orbitals for entangled energy bands is proposed. It is an extension of the Wannier-Boys algorithm [C. M. Zicovich-Wilson, R. Dovesi, and V. R. Saunders, J. Chem. Phys. 115, 9708 (2001)] which…
We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite…
We study the behavior of several physical properties of the Haldane model as the system undergoes its transition from the normal-insulator to the Chern-insulator phase. We find that the density matrix has exponential decay in both…
Fractional Chern insulators are new realizations of fractional quantum Hall states in lattice systems without orbital magnetic field. These states can be mapped onto conventional fractional quantum Hall states through the Wannier state…
We provide a mathematically proven, simple and efficient algorithm to build localised Wannier functions, with the only requirement that the system has vanishing Chern numbers. Our algorithm is able to build localised Wannier for topological…
The electronic ground state of a periodic crystalline solid is usually described in terms of extended Bloch orbitals; localized Wannier functions can alternatively be used. These two representations are connected by families of unitary…
In this paper we introduce a new localization framework for wavelet transforms, such as the 1D wavelet transform and the Shearlet transform. Our goal is to design nonadaptive window functions that promote sparsity in some sense. For that,…
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…
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 describe and implement a first-principles algorithm based on maximally-localized Wannier functions for calculating the shift-current response of piezoelectric crystals in the independent-particle approximation. The proposed algorithm…
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…
We introduce a second-quantized field theory for Chern insulators in which the Hamiltonian features a static vector potential that has the periodicity of the crystal's lattice and spontaneously breaks time-reversal symmetry in the system's…
A method to find optimal 2nd-order perturbations is presented, and applied to find the optimal spanwise-wavy surface for suppression of cylinder wake instability. Second-order perturbations are required to capture the stabilizing effect of…
We develop a technique for constructing Bloch-like functions for 2D Z_2-insulators (i.e., quantum spin-Hall insulators) that are smooth functions of k on the entire Brillouin-zone torus. As the initial step, the occupied subspace of the…
Bands with non-trivial topological indices have a topological obstruction preventing them from being represented by exponentially localized Wannier states. Here, we propose a procedure to construct exponentially localized Wannier functions…
We provide a constructive proof of exponentially localized Wannier functions and related Bloch frames in 1- and 2-dimensional time-reversal symmetric (TRS) topological insulators. The construction is formulated in terms of periodic TRS…
We present a self-consistent, real-space calculation of the Wannier functions of Si and GaAs within density functional theory. We minimize the total energy functional with respect to orbitals which behave as Wannier functions under crystal…
The paper presents the group theory of best localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and…