Electronic structure and X-ray spectroscopic properties of the HfFe2Si2 compound

Abstract

The valence band electronic structure of HfFe2Si2 has been established for the first time based on X-ray emission spectroscopy measurements. The band structure and X-ray emission spectra have been also obtained theoretically using the ab initio LMTO method in the non-relativistic approximation. The electron configuration of Si in the compound HfFe2Si2 can be described as $s^{1.1}p^{1.5}$. The theoretical and experimental results are in satisfactory agreement.