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Ab initio calculations of the atomic and electronic structure of MgF2 (011) and (111) surfaces

✍ Scribed by Vassilyeva, Anna ;Eglitis, Robert ;Kotomin, Eugene ;Dauletbekova, Alma


Book ID
111489254
Publisher
Walter de Gruyter GmbH
Year
2011
Tongue
English
Weight
401 KB
Volume
9
Category
Article
ISSN
2391-5471

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Diamond (111) and (100) surface: ab init
✍ A. Scholze; W.G. Schmidt; P. KΓ€ckell; F. Bechstedt πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 407 KB

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