An x-ray emission and density functional theory study of the electronic structure of Zn(1-x)Mn(x)S.

Mn 3d electronic states in the dilute magnetic semiconductor Zn(1-x)Mn(x)S (x = 0.1-0.3) are studied using soft x-ray emission (XES) measurements and density functional theory (DFT). Mn L(2,3) emission spectra of Zn(1-x)Mn(x)S (x = 0.1-0.3) suggest that the Mn impurities do not form clusters in the host ZnS lattice, in agreement with previous models. A shift in the position of a Mn L(3) XES feature suggests a change in the nature of the hybridization between the Mn 3d(3/2) and S 3p states as a function of x. Our DFT calculations reproduce the weak interatomic exchange interaction, as well as the strong intra-atomic exchange splitting that is expected from observations of Zeeman splitting in such materials.