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Localization versus delocalization of d-states within the [Formula: see text] MnGa Heusler alloy

We present calculations based on density-functional theory with improved exchange-correlation approaches to investigate the electronic structure of [Formula: see text] MnGa magnetic shape memory alloy prototype. We study the effects of hybrid functionals as well as a Hubbard-like correction paramete...

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Detalles Bibliográficos
Autores principales:	Janovec, Jozef, Zelený, Martin, Heczko, Oleg, Ayuela, Andrés
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9708842/ https://www.ncbi.nlm.nih.gov/pubmed/36446814 http://dx.doi.org/10.1038/s41598-022-23575-1

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