X-ray K-absorption spectra of phosphorus and sulfur in InPS4: experiment and theory

The K-edge X-ray absorption near edge spectra (XANES) of P and S in InPS4 semiconductors is investigated both experimentally and theoretically. Theoretical calculations carried out using high order multiple scattering theory with the ab initio FEFF7 code are found to be in good agreement with experiment. The notable correspondence between the XANES features for P and S absorbers allows one to interpret the spectra in terms of strongly mixed free S and P p-states.