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

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

<i>d</i>-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 <i>d</i>...

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Bibliographic Details
Main Authors:	Mikhail S. Kuklin, Kim Eklund, Jarno Linnera, Artturi Ropponen, Nikolas Tolvanen, Antti J. Karttunen
Format:	Article
Language:	English
Published:	MDPI AG 2022-01-01
Series:	Molecules
Subjects:	oxides transition metals magnetism computational chemistry density functional theory
Online Access:	https://www.mdpi.com/1420-3049/27/3/874

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