An x-ray emission and density functional theory study of the electronic structure ofZn1−xMnxS

Abstract

Mn 3d electronic states in the dilute magnetic semiconductorZn1−xMnxS (x = 0.1–0.3)are studied using soft x-ray emission (XES) measurements and density functional theory (DFT). MnL2,3 emissionspectra of Zn1−xMnxS (x = 0.1–0.3) suggest that the Mn impurities do not form clusters in the host ZnSlattice, in agreement with previous models. A shift in the position of a MnL3 XES feature suggests a change in the nature of the hybridization between the Mn3d3/2 and S 3p statesas a function of x. Our DFT calculations reproduce the weak interatomic exchange interaction, as well as thestrong intra-atomic exchange splitting that is expected from observations of Zeemansplitting in such materials.