Code and data associated with the paper "Computation of topological invariants of disordered materials using the kernel polynomial method"

Abstract

We present an algorithm to determine topological invariants of inhomogeneous systems, such as alloys, disordered crystals, or amorphous systems. Our algorithm allows efficient analysis of three dimensional samples with more than 10⁷ degrees of freedom, two orders of magnitude above the previous best. This performance gain is due to a localized approximation of the band projector based on the kernel polynomial method, combined with the stochastic trace approximation. Our method makes it possible to study large samples and complex compounds, where disorder plays a central role, and provides a better resolution of disorder-driven phase transitions. As a case study we apply this approach to Sn_xPb_1-xTe and related alloys, and obtain the topological phase diagram of this family of three dimensional mirror Chern insulators.

Contents

Code and data to reproduce the results shown in the manuscript.