Compton Profiles of CdS, CdSe and CdTe: Theory and Experiment

Abstract

In this paper, we report the Compton profiles of zinc-blende CdS, CdSe and CdTe which are measured using 59.54 keV gamma-rays from ²⁴¹Am source. The isotropic experimental Compton profiles are compared with the present hybridised density functional and Hartree-Fock (DF-HF); and pseudopotential calculations using CRYSTAL03 code. To compare the relative bonding in these compounds the equal-valence-electron-density (EVED) profile are also derived. It is seen that the experimental profiles are in better agreement with DF-HF calculations while the ionicity decreases in the order CdSe, CdS and CdTe.