Improved Electronic Structure and Optical Properties of sp-Hybridized Semiconductors Using LDA+USIC
We propose the local density approximation (LDA) plus an on-site Coulomb self-interaction-like correction(SIC) potential for describing sp-hybridized bonds in semiconductors and insulators. We motivate the presentLDA+USIC scheme by comparing the exact exchange (EXX) hole with the LDA exchange hole....
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| Veröffentlicht in: | Brazilian Journal of Physics |
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| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Sociedade Brasileira de Física
2006
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| Schlagworte: | |
| Online-Zugang: | https://www.redalyc.org/articulo.oa?id=46436314 |
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