Electron energy-band structures of some AgCd alloys

TLDR: In this article, the complex energy-band structures of AgCd alloys have been determined by the alloy-Koringa-Kohn-Rostoker-Ziman (KKRZ) method for two different concentrations, and the optical properties estimated from these calculations have been compared with experiment.

Abstract: Complex energy-band structures of AgCd alloys have been determined by the alloy--Koringa-Kohn-Rostoker-Ziman (KKRZ) method for two different concentrations, and the optical properties estimated from these calculations have been compared with experiment. On the low-concentration side agreement with experiment is found to be excellent, whereas on the higher-concentration end a slight deviation is observed. This is probably due to the fact that the average-T-matrix approximation, which is the basis of the alloy--KKRZ method, is more suited for relatively lower concentrations of the alloying material. An effect of the charge transfer on the higher-concentration alloys has also been investigated. The results show that the disagreement with the experiment can also be accounted for by the charge-transfer effect.