Abstract
The band structure of metallic gold has been calculated by the relativistic augmented plane wave method for three lattice parameters, namely a, 0.995a and 0.99a, where a is the normal lattice constant. The energy eigenvalues at several symmetry points of the Brillouin zone are reported and the variations in energies with lattice parameter are found to be linear. A few Fermi surface parameters have been calculated. The pressure coefficient of the neck area ( Delta A/A/ Delta P) has been calculated and compared with Templeton's experimental value. The calculated and experimental values differ by a factor of about 3 but agree in sign. Assuming that the reflectivity edge is due to direct transitions from the conduction band near L to the Fermi level, the estimate of the shift of this edge due to pressure agrees well with Zallen's experimental observation.
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