Electronic structure of hafnium: A compton profile study

Abstract

In this paper, we report the first-ever isotropic Compton profile of hafnium measured at an intermediate resolution, with 661.65 keV γ-radiation. To compare our experimental data, the theoretical computations have also been carried out within the framework of pseudopotential using CRYSTAL03 code and the renormalized-free-atom (RFA) model. It is found that the present experimental profile is in better agreement with the RFA calculations if the outer electronic configuration is chosen as 5d 3.2 6s 0.8 . The cohesive energy of Hf is also deduced from the experimental data and is compared with the available data.

Compton Profile Investigation for Aluminum (Al)

“…Compton profile J(PZ) can be defined as: can provide information about the projection of electronic momentum density on the scattering wave vector. J(Pz) is written as by [17].…”