TB2J: A python package for computing magnetic interaction parameters

We present TB2J, a Python package for the automatic computation of magnetic interactions, including exchange and Dzyaloshinskii–Moriya, between atoms of magnetic crystals from the results of density functional calculations. The program is based on the Green’s function method with the local rigid spi...

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Bibliographic Details

Published in:	Computer physics communications Vol. 264; p. 107938
Main Authors:	He, Xu, Helbig, Nicole, Verstraete, Matthieu J., Bousquet, Eric
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.07.2021 North-Holland
Subjects:	Anisotropic exchange Dzyaloshinskii–Moriya interaction Exchange Green’s function Heisenberg model magnetic interactions Physical, chemical, mathematical & earth Sciences Physics Physique Physique, chimie, mathématiques & sciences de la terre Exchange Heisenberg model Dzyaloshinskii–Moriya interaction Green’s function Anisotropic exchange
ISSN:	0010-4655, 1879-2944, 1879-2944
Online Access:	Get full text
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