On the calculation of surface states of silicon

✍ Scribed by I. Alstrup

• Book ID: 104542433
• Publisher: John Wiley and Sons
• Year: 1971
• Tongue: English
• Weight: 420 KB
• Volume: 45
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/pssb.2220450123

✦ Synopsis

Abstract

Surface bands of two LCAO models of silicon (110) slabs are calculated. Comparison with previously calculated surface bands of similar models of (111) slabs and with the surface bands calculated by Jones [3] using a pseeudopotential‐matching method suggests that only small differences exist between the surface state density distribution of the (111) and that of the (110) surface, in harmony with experiments, and that the position and form of the surface bands depend sensitively on the model used for the surface region. Estimates of the position of the neutral Fermi level at the surface of the LCAO slab models indicate that they are far from being self‐consistent in the surface region. More refined models are thus necessary for obtaining reliable surface state results.