Diamond (111) and (100) surface: ab init
โ
A. Scholze; W.G. Schmidt; P. Kรคckell; F. Bechstedt
๐
Article
๐
1996
๐
Elsevier Science
๐
English
โ 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