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26 April 2024
 
  » arxiv » 1905.2215

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Computation of topological invariants of disordered materials using the kernel polynomial method
Daniel Varjas ; Michel Fruchart ; Anton R. Akhmerov ; Pablo Perez-Piskunow ;
Date 6 May 2019
AbstractWe present an algorithm to determine topological invariants of inhomogeneous systems, such as alloys, disordered crystals, or amorphous systems. Our algorithm allows for efficient analysis of three-dimensional samples with more than $10^7$ 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 Pb$_{1-x}$Sn$_{x}$Te and related alloys, and obtain the topological phase diagram of this family of three-dimensional mirror Chern insulators.
Source arXiv, 1905.2215
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