Empirical band calculations of the optical properties of d-band metals. I. Cu, Ag, and Au

R. Lässer, N. V. Smith, and R. L. Benbow
Phys. Rev. B 24, 1895 – Published 15 August 1981
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Abstract

The imaginary part of the dielectric constant ε2 has been calculated for Cu, Ag, and Au in the energy range ω25 eV with full inclusion of momentum matrix elements and spin-orbit effects. The calculations were performed by a second-principles method using a combined interpolation scheme. Overall agreement with experiment, both with regard to positions and intensitites of structures, is quite good, especially for Cu and Au. Band-by-band decompositions of ε2 are presented and are used to locate prominent structures in k space. In the case of Au, the prominent transitions seen in thermoreflectance data around 20 eV are shown to occur at the L point (or possibly at the X point) rather than at the zone center as previously proposed.

  • Received 23 October 1980

DOI:https://doi.org/10.1103/PhysRevB.24.1895

©1981 American Physical Society

Authors & Affiliations

R. Lässer and N. V. Smith

  • Bell Laboratories, Murray Hill, New Jersey 07974

R. L. Benbow

  • Department of Physics, University of Northern Illinois, Dekalb, Illinois 60115

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Vol. 24, Iss. 4 — 15 August 1981

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