Fermi surface optimization for gold
- 1 January 1972
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 2 (1) , 38-42
- https://doi.org/10.1088/0305-4608/2/1/008
Abstract
Semiempirical calculations of Fermi surface dimensions have been carried out for gold using the Green function nonrelativistic method and a Gaspar-type potential. The exchange energy coefficient and the exchange and coulombic energy screening parameters have been varied in accordance with a suggested new optimization procedure for noble metals. The results are disappointing and are unlikely to lead to a band structure more useful than that obtained previously by Ballinger and Marshall (1969). The results are discussed in relation to the many recent band structure calculations for this metal.Keywords
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