Electron momentum density in ZnSe: Theory and experiment

摘要

We present experimental Compton profiles of ZnSe along [100] and [110] directions using our 740 GBq 137Cs Compton spectrometer.We have also computed the momentum densities,energy bands,density of states (DOS) and band gaps using density functional theory (local density and generalized gradient approximations) and pseudopotential (PP) approach.The anisotropy in the momentum density is well reproduced by the density functional calculations.The energy bands and bond length are interpreted in terms of the anisotropies.