A study of electronic structure of CdSe by Compton scattering technique

Abstract

The electronic structure of CdSe through a Compton profile study is presented in this paper. Theoretical calculations are performed following the empirical pseudopotential method and the linear combination of atomic orbitals method. The measurement on a polycrystalline sample of CdSe is performed using 59.54 keV gamma-rays from 241Am radioisotope. The spherically averaged theoretical Compton profiles are in agreement with the measurement. The best agreement is, however, shown by the linear combination of atomic orbitals method based on the Hartree–Fock theory. The electron momentum density is also discussed in terms of theoretical anisotropies in the directional Compton profiles calculated from the linear combination of atomic orbitals method. On the basis of equal valence electron-density profiles, it is found that CdSe is less covalent compared to ZnSe. The superposition model suggests the transfer of 1.6 electrons from Cd to Se on compound formation.