K. Lawniczakjablonska et al., LOCAL ELECTRONIC-STRUCTURE OF ZNS AND ZNSE DOPED BY MN, FE, CO, AND NI FROM X-RAY-ABSORPTION NEAR-EDGE STRUCTURE STUDIES, Physical review. B, Condensed matter, 53(3), 1996, pp. 1119-1128
Systematic studies of x-ray-absorption near-edge structure (XANES) at
the K edge of cations and anions in ZnS, ZnSe, and ZnMS and ZnMSe comp
ounds, with M being a transition metal (Mn, Fe, Co, Ni), were performe
d. Our investigations have shown, in agreement with earlier literature
results of multiple-scattering theory, that the distribution of unocc
upied p-like states around cation atoms is mainly determined by the ty
pe of anion and does not depend significantly on the M concentration.
Three peak structures can be found in the cation K-edge XANES of the s
ulphides, whereas a two-peak structure is observed in selenides. The e
ffective charge transfer for the M cation was estimated within 2-2.5e,
from measured chemical shifts of the respective K edges. Additionally
, direct evidence of hybridization between the states of M and p state
s of S was found from S K-edge XANES studies. The empirical correlatio
n between the shape of M K edges and the solubility limit of M in the
investigated solid matrices was revealed.