Electronic structure of hafnium: A Compton profile study

Pramana

B L Ahuja1¹  S Mathur¹  S Khera1¹ 

[1] Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313 001, India$$

关键词: Compton scattering;    electron momentum density;    pseudopotential calculations.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

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 5d3.26s0.8. The cohesive energy of Hf is also deduced from the experimental data and is compared with the available data.

【 授权许可】

Unknown