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Structural Properties and Magnetic Ground States of 100 Binary d-Metal Oxides Studied by Hybrid Density Functional Methods

d-metal oxides play a crucial role in numerous technological applications and show a great variety of magnetic properties. We have systematically investigated the structural properties, magnetic ground states, and fundamental electronic properties of 100 binary d-metal oxides using hybrid density fu...

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Detalles Bibliográficos
Autores principales:	Kuklin, Mikhail S., Eklund, Kim, Linnera, Jarno, Ropponen, Artturi, Tolvanen, Nikolas, Karttunen, Antti J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8838575/ https://www.ncbi.nlm.nih.gov/pubmed/35164135 http://dx.doi.org/10.3390/molecules27030874

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