Abstract
The CuL2,3, InM4,5, and SL1 soft-x-ray emission spectra of single-crystalline CuInS2 were measured using synchrotron radiation as excitation source. These spectra essentially reflect the local partial densities of states (LPDOS) of Cu 3d, In 5p, and S 3p valence states, respectively. They correspond to features in the total density of states of the upper valence band as revealed by valence-band photoelectron spectrum. On common binding-energy scale the SL1 and InM5 spectra display broad peaks positioned slightly below the Cu 3d-related peak center and a shoulder above the Cu peak center, extending towards the valence-band maximum. A density-functional calculation of the LPDOS confirms two components occurring in both S 3p and In 5p partial densities of states. From the similarity of the positions and the intensity ratios of these two components, an admixture of In 5p states to the S 3p states in the upper valence band is suggested, providing an explanation of the abnormally small band gap of ternary copper sulfides.
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