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Investigations of Structural, Electronic and Magnetic Properties of MnSe under High Pressure

Properties of pressurized MnSe were investigated based on the first-principles methods using exchange–correlation functionals of the local density approximation (generalized gradient approximation) with and without the Hubbard U correction. Our results show that the Hubbard U (U = 4 eV) correction i...

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Detalles Bibliográficos
Autores principales:	Zhao, Jing, Zhang, Hanxing, Niu, Caoping, Wang, Xianlong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8839507/ https://www.ncbi.nlm.nih.gov/pubmed/35161054 http://dx.doi.org/10.3390/ma15031109

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