Structural behavior and metallization of AsSbS₃ at high pressure

Abstract The group V–VI semiconductor material getchellite (crystalline AsSbS 3 ) has garnered extensive attention due to its wonderful electronic and optical properties. The pressure engineering is one of the most effective methods to modulate crystal structure and physical properties of semiconductor materials. In this study, the structural behavior, optical and electrical properties of AsSbS 3 under high pressure have been investigated systematically by in situ high-pressure experiments for the first time. The monoclinic structure of AsSbS 3 remains stable up to 47.0 GPa without phase transition. The gradual lattice contraction with increasing pressure results in a continuous narrowing of the bandgap then leads to pressure-induced metallization of AsSbS 3 at 31.5 GPa. Our research presents a high-pressure strategy for tuning the crystal structure and physical properties of AsSbS 3 to expand its potential applications in electronic and optoelectronic fields.