Within the framework of density-functional theory in local-density approximation (DFT-LDA) we perform first-principles calculations for the atomic and electronic structure of diamond surfaces. The electron-ion interaction is described by a soft non-local carbon pseudopotential. For the C(100) surfac
✦ LIBER ✦
Atomic and electronic structure of the (111) surface of cubic BN: an LDF ab initio study
✍ Scribed by K. Kádas; G. Kern; J. Hafner
- Book ID
- 117214720
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 106 KB
- Volume
- 454-456
- Category
- Article
- ISSN
- 0039-6028
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