Abstract
The imaginary part of the dielectric constant has been calculated for Cu, Ag, and Au in the energy range 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 are presented and are used to locate prominent structures in space. In the case of Au, the prominent transitions seen in thermoreflectance data around 20 eV are shown to occur at the point (or possibly at the 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