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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
Stockholms universitet, Nordiska institutet för teoretisk fysik (Nordita). University of Connecticut, United States of America.ORCID-id: 0000-0003-4265-1824
Rekke forfattare: 12024 (engelsk)Inngår i: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 36, nr 32, artikkel-id 325902Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
2024. Vol. 36, nr 32, artikkel-id 325902
Emneord [en]
topology, disorder, computational materials science, band theory
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-231218DOI: 10.1088/1361-648X/ad475fISI: 001225570900001PubMedID: 38701825Scopus ID: 2-s2.0-85193561121OAI: oai:DiVA.org:su-231218DiVA, id: diva2:1872551
Tilgjengelig fra: 2024-06-18 Laget: 2024-06-18 Sist oppdatert: 2024-06-18bibliografisk kontrollert

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Tyner, Alexander

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