Relativistic Band Structure of Gold
- 15 December 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 188 (3), 1117-1120
- https://doi.org/10.1103/physrev.188.1117
Abstract
The electronic band structure of metallic gold has been calculated using a relativistic form of the Korringa-Kohn-Rostoker method, including a four-component spinor wave function and the full Dirac central-field Hamiltonian. The bands are compared with those of Schlosser's nonrelativistic calculation, using the same muffin-tin potential. The derived cross-sectional areas of the Fermi surface are in general agreement with Schoenberg's de Hass-van Alphen measurements. The allowed dipole transitions are used to interpret the optical measurements by Beaglehole. The peaks in the imaginary part of the dielectric constant being about 1 eV higher than our calculated band gaps, we conjecture that indirect transitions play an important role.Keywords
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