Electronic structure of Cr1-dS (d=0,0.17) with NiAs-type crystal structure

TL;DR

This study investigates the electronic structures of CrS and Cr5S6 with NiAs-type crystal structure using photoemission techniques, revealing differences in bandwidth and exchange splitting energies related to sulfur vacancy levels.

Contribution

It provides detailed experimental insights into how sulfur vacancies affect the electronic structure of CrS compounds, which was not previously characterized.

Findings

Cr5S6 has a wider valence bandwidth than CrS.

Cr 3d partial density of states remains similar despite sulfur vacancies.

Exchange splitting energies differ between CrS and Cr5S6.

Abstract

Valence-band and conduction-band electronic structure of CrS (d=0) and Cr5S6 (d=0.17) has been investigated by means of photoemission and inverse-photoemission spectroscopies. Bandwidth of the valence bands of Cr5S6 (8.5 eV) is wider than that of CrS (8.1 eV), though the Cr 3d partial density of states evaluated from the Cr 3p-3d resonant photoemission spectroscopy is almost unchanged between the two compounds with respect to the shapes including binding energies. The Cr 3d (t2g) exchange splitting energies of CrS and Cr5S6 are determined to be 3.9 and 3.3 eV, respectively.