Optical and electronic properties of lithium thiogallate (LiGaS₂): experiment and theory

Abstract

We report the relation between the optical properties and electronic structure of lithium thiogallate (LiGaS2) by performing XPS and XES measurements and theoretical calculations.

Effects of strain and Li adsorption on the electronic structure and optical properties of arsenene

“…Following this figure, one can see that p‐like states associated with As contribute throughout the whole main portion of the valence band, while contributions of electronic s‐like states associated with Li are very minor and detected in the upper portion of the valence band of arsenene adsorbing Li. The similar features of the occupation of the valence band regions by As 4p and Li 2 s states were detected earlier in DFT band‐structure calculations performing for several As‐ and Li‐bearing compounds [45–48]. The density of states of the intrinsic arsenene is a combination of s‐state and p‐state electrons, and the s‐state of the Li atom only contributes to part of the density of states in the arsenene adsorption system, and the regulation of the metallic nature mainly comes from the p‐state electrons of the As atom.…”