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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. Stockholm University, 106 91 Stockholm, Sweden; 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: 2024-06-03Bibliographically approved

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Tyner, Alexander C.
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