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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https://www.mdpi.com/1420-3049/27/3/874

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