First-principles prediction of half-metallicity at the low index surfaces of rocksalt KS

In this paper the structural, electronic and magnetic properties of the low index (111), (110) and (001) surfaces of the rocksalt Potassium Sulfide (rs-KS) are investigated by using pseudo-potential calculations in the framework of spin density functional theory. Below the atomic density of states for K and S terminated (111) surfaces are shown.223