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Band Gap in Magnetic Insulators from a Charge Transition Level Approach
[Image: see text] The theoretical description of the electronic structure of magnetic insulators and, in particular, of transition-metal oxides (TMOs), MnO, FeO, CoO, NiO, and CuO, poses several problems due to their highly correlated nature. Particularly challenging is the determination of the band...
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| Veröffentlicht in: | J Chem Theory Comput |
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| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Chemical Society
2020
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8007096/ https://ncbi.nlm.nih.gov/pubmed/32427487 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00134 |
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