The K-edge X-ray absorption near edge spectra (XANES) of P and S in InPS4 s
emiconductors is investigated both experimentally and theoretically. Theore
tical calculations carried out using high order multiple scattering theory
with the ab initio FEFF7 code are found to be in good agreement with experi
ment. The notable correspondence between the XANES features for P and S abs
orbers allows one to interpret the spectra in terms of strongly mixed free
S and P p-states. (C) 2000 Elsevier Science Ltd. All rights reserved.