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Atomic chemical composition and reactivity of the TiC(111) surface

✍ Scribed by S. Zaima; Y. Shibata; H. Adachi; C. Oshima; S. Otani; M. Aono; Y. Ishizawa


Publisher
Elsevier Science
Year
1985
Weight
106 KB
Volume
157
Category
Article
ISSN
0167-2584

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πŸ“œ SIMILAR VOLUMES


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