BerryEasy: a GPU enabled python package for diagnosis of nth-order and spin-resolved topology in the presence of fields and effects

Multiple software packages currently exist for the computation of bulk topological invariants in both idealized tight-binding models and realistic Wannier tight-binding models derived from density functional theory. Currently, only one package is capable of computing nested Wilson loops and spin-res...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2024-08, Vol.36 (32), p.325902
Main Author: Tyner, Alexander C
Format: Article
Language:English
Subjects:
band theory
computational materials science
disorder
topology
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Summary:Multiple software packages currently exist for the computation of bulk topological invariants in both idealized tight-binding models and realistic Wannier tight-binding models derived from density functional theory. Currently, only one package is capable of computing nested Wilson loops and spin-resolved Wilson loops. These state-of-the-art techniques are vital for accurate analysis of band topology. In this paper we introduce BerryEasy, a python package harnessing the speed of graphical processing units to allow for efficient topological analysis of supercells in the presence of disorder and impurities. Moreover, the BerryEasy package has built-in functionality to accommodate use of realistic many-band tight-binding models derived from first-principles.
ISSN:0953-8984
1361-648X
1361-648X
DOI:10.1088/1361-648X/ad475f