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Proceedings Paper

Topological classification with Z2Pack (Conference Presentation)
Author(s): Dominik Gresch; Alexey A. Soluyanov; Gabriel Autés; Oleg Yazyev; Bogdan A. Bernevig; David H. Vanderbilt; Matthias Troyer
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Paper Abstract

We present a general technique for capturing various non-trivial topologies in the band structure of materials, which often arise from spin-orbit coupling. The technique is aimed at insulators and semimetals. Of insulators, Chern, Z2, and crystalline topological insulators can be identified. Of semimetals, the technique captures non-trivial topologies associated with the presence of Weyl and Dirac points in the spectrum. A public software package -- Z2Pack -- based on this technique will be presented. Z2Pack is an easy-to-use, well documented Python package that computes topological invariants and illustrates non-trivial features of Berry curvature. It works as a post-processing tool with all major first-principles codes, as well as with tight-binding models. As such, it can be used to investigate materials with strong spin-orbit coupling.

Paper Details

Date Published: 4 November 2016
PDF: 1 pages
Proc. SPIE 9931, Spintronics IX, 99313J (4 November 2016); doi: 10.1117/12.2239102
Show Author Affiliations
Dominik Gresch, ETH Zürich (Switzerland)
Alexey A. Soluyanov, ETH Zürich (Switzerland)
Gabriel Autés, Ecole Polytechnique Fédérale de Lausanne (Switzerland)
Oleg Yazyev, Ecole Polytechnique Fédérale de Lausanne (Switzerland)
Bogdan A. Bernevig, Princeton Univ. (United States)
David H. Vanderbilt, Rutgers, The State Univ. of New Jersey (United States)
Matthias Troyer, ETH Zürich (Switzerland)

Published in SPIE Proceedings Vol. 9931:
Spintronics IX
Henri-Jean Drouhin; Jean-Eric Wegrowe; Manijeh Razeghi, Editor(s)

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