Spin textures in a silver sulfide proustite

Nonmagnetic materials exhibiting spin-orbit coupling (SOC) and broken inversion symmetry have been shown to exhibit spin properties conducive to spintronics applications by exploiting spin textures in momentum space. In this talk, I will present a first-principles electronic structure study of proustite, a polar Ag₃AsS₃ sulfide, and related A₃BQ₃ chalcogenides. I will discuss how changes in local atomic structure and orbital hybridization influence the band gaps, band dispersions, and spin-momentum locking at different positions in momentum space in the material family.