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BerryEasy: a GPU enabled python package for diagnosis of nth-order and spin-resolved topology in the presence of fields and effects
KTH, Centres, Nordic Institute for Theoretical Physics NORDITA. Department of Physics, University of Connecticut, Storrs, CT 06269, United States of America.ORCID iD: 0000-0003-4265-1824
2024 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 36, no 32, article id 325902Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
IOP Publishing , 2024. Vol. 36, no 32, article id 325902
Keywords [en]
band theory, computational materials science, disorder, topology
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-347060DOI: 10.1088/1361-648X/ad475fISI: 001225570900001PubMedID: 38701825Scopus ID: 2-s2.0-85193561121OAI: oai:DiVA.org:kth-347060DiVA, id: diva2:1862788
Note

QC 20240603

Available from: 2024-05-30 Created: 2024-05-30 Last updated: 2026-04-14Bibliographically approved

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Tyner, Alexander C.
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