𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study of relaxation and reconstruction of the (111) surface of diamond

✍ Scribed by Vincenzo Barone; Francesco Lelj; Nino Russo; Marirosa Toscano; Francesc Illas; Jaime Rubio

Book ID
118986537
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
249 KB
Volume
162
Category
Article
ISSN
0039-6028

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Reconstruction of the diamond (111) surf
Reconstruction of the diamond (111) surface
✍ Iarlori, Simonetta; Galli, Giulia; Gygi, FranΓ§ois; Parrinello, Michele; Tosatti, πŸ“‚ Article πŸ“… 1992 πŸ› The American Physical Society 🌐 English βš– 314 KB
CNDO/2 calculations of relaxation and re
CNDO/2 calculations of relaxation and reconstruction of diamond and silicon [111] surfaces
✍ I. ΔΉszlΓ³ πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 376 KB

## Abstract CNDO/2 calculations have been performed on the clusters __X__~4~H~9~ and __X__~4~__Y__~9~ modeling the [111] diamond and silicon surfaces. The __X__ is either carbon or silicon atom and the __Y__ is a pseudoatom containing one __sp__^3^ hybrid orbital. It is shown that in the CNDO/2 app