Origin of band gaps in 3d perovskite oxides

It is often stated that first principles studies of transition metal oxides require dynamically correlated methods to correctly produce gap formation, magnetism and structural distortions. Varignon et al. show instead that static correlations are sufficient to capture these features in the ABO3 oxid...

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Autores principales: Julien Varignon, Manuel Bibes, Alex Zunger
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/edf6227bb8c940acb12c29239ecc61f8
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