Compton Profile and Electron Momentum Density Study of (CdS)

Abstract

The objective of this paper is to study theoretically the electron momentum density (EMD) of (CdS) using (FA, FE, RFA and superposition) models to the Compton profiles J(P_Z) for Cd metal are calculated depending on several theoretical models by selecting different electronic arrangements (4d^10-x 5s^1+x) where (x=0.1,0.2,0.3,……,1) . The obtained theoretical Compton profile for (CdS) is found to be in good agreement with the recent experimental isotropic profile . Charge transfer for the compound has been estimated by ionic model for number of arrangement of (Cd^+x)(S^-x). This model suggests a charge transfer of 0.8 electrons per Cd atom from 4d state to 3p state of S atom.

Keywords: EMD, CdS, Compton profile (CP), Renormalized Free Atom (RFA) model, Free Electron (FE) model, Superposition model, Ionic model, charge transfer.