Modeling of the β-SiC(001) (3×2) surface reconstruction

✍ Scribed by S.A Shevlin; A.J Fisher

• Publisher: Elsevier Science
• Year: 2000
• Tongue: English
• Weight: 85 KB
• Volume: 162-163
• Category: Article
• ISSN: 0169-4332
• DOI: 10.1016/s0169-4332(00)00176-8

✦ Synopsis

Ž

. We calculate the total energies, geometries and electronic structure for two competing models of the silicon-rich 3 = 2 Ž . reconstruction of the b-SiC 001 surface. In order to compare the energies, some value of the chemical potential of silicon Ž . atoms must be assumed. For most reasonable assumptions, we find that the Yan-Semond YS model is favoured. This model also gives a highest occupied surface state whose dispersion characteristics match photoemission experiments.