Diamond (111) and (100) surface: ab init
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A. Scholze; W.G. Schmidt; P. KΓ€ckell; F. Bechstedt
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Article
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1996
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Elsevier Science
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English
β 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