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....
Kaydedildi:
| Yayımlandı: | Brazilian Journal of Physics |
|---|---|
| Asıl Yazarlar: | , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
Sociedade Brasileira de Física
2006
|
| Konular: | |
| Online Erişim: | https://www.redalyc.org/articulo.oa?id=46436314 |
| Etiketler: |
Etiket eklenmemiş, İlk siz ekleyin!
|