Ae. Bocquet et al., THE INCLUSION OF CHARGE-TRANSFER TO THE CONDUCTION-BAND IN A CLUSTER MODEL ANALYSIS OF SOME 3D TRANSITION-METAL CHALCOGENIDES, Journal of electron spectroscopy and related phenomena, 78, 1996, pp. 111-114
We have extended the single impurity cluster model to include the effe
cts of charge transfer to the conduction band. By introducing a few we
ll defined parameters to describe the interaction between the single i
mpurity and the conduction band we find an improved agreement for the
asymmetric line shapes of the metal 2p core-level photoemission spectr
a of the 3d-transition metal pyrites FeS2 and CoS2 and of NiAs-type Ni
S.