Si K, Si L, and Cr K x-ray valence-band studies of bonding in chromium silicides: Experiment and theory.

Abstract

We present Si K, Si L, and Cr K x-ray emission bands of ${\mathrm{Cr}}_{3}$Si, CrSi, and ${\mathrm{CrSi}}_{2}$ together with Si K and Si L emission bands of ${\mathrm{Cr}}_{5}$${\mathrm{Si}}_{3}$. The measured spectra are compared with ab initio pseudopotential calculations of the emission bands of ${\mathrm{Cr}}_{3}$Si, CrSi, and ${\mathrm{CrSi}}_{2}$. The Si L spectra were separated into contributions of Si s-like and Si d-like states. Good agreement between theory and experiment is found. The trends in development of spectral features with sample composition can be qualitatively understood by the bonding behavior of Cr and Si atoms.