Multifunctional antiperovskites driven by strong magnetostructural coupling

Abstract Based on density functional theory calculations, we elucidated the origin of multifunctional properties for cubic antiperovskites with noncollinear magnetic ground states, which can be attributed to strong isotropic and anisotropic magnetostructural coupling. Of 54 stable magnetic antiperov...

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Bibliographic Details
Main Authors: Harish K. Singh, Ilias Samathrakis, Nuno M. Fortunato, Jan Zemen, Chen Shen, Oliver Gutfleisch, Hongbin Zhang
Format: Article
Language:English
Published: Nature Publishing Group 2021-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00566-w