BerryEasy: a GPU enabled python package for diagnosis of nth-order and spin-resolved topology in the presence of fields and effects
| العنوان: | BerryEasy: a GPU enabled python package for diagnosis of nth-order and spin-resolved topology in the presence of fields and effects |
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| المؤلفون: | Tyner, Alexander |
| المصدر: | Journal of Physics. 36(32) |
| مصطلحات موضوعية: | topology, disorder, computational materials science, band theory |
| الوصف: | 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. |
| وصف الملف: | |
| URL الوصول: | https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-231218 https://doi.org/10.1088/1361-648X/ad475f |
| قاعدة البيانات: | SwePub |
| تدمد: | 09538984 1361648X |
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| DOI: | 10.1088/1361-648X/ad475f |