Electron Momentum Density in Nickel (Ni)

Abstract

In this paper, Compton profile of (Ni) was Calculated by employing both the renormalized-free atom(RFA) model and free electron(FE) model setting several configurations in subset (3d-4s). The results were compared with recent data ,It shows that the RFA calculation in(3d8.8-4s1.2) gives a better agreement with experiment.The calculated data used for the first time also to compute the cohesive energy of Nickle and compared it with available data. The Band structure and Density of state of Nickel crystals(DFT-LDA) also calculated by using code Quantum wise.

Keywords: Compton profile,Electron momentum density, Cohesive energy, Band structure, Density of state.