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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2019-04-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-019-09698-6 |