A. Kamata et al., RESONANT 2P-]3D PHOTOEMISSION MEASUREMENT OF MPS(3) (M=MN, FE, NI), Journal of the Physical Society of Japan, 66(2), 1997, pp. 401-407
Resonant 2p --> 3d photoemission (RPE) spectra in the valence band reg
ion of the transition-metal thiophosphates MPS(3) (M = Mn, Fe, Ni) hav
e been measured by using synchrotron radiation. These spectra show lar
gely enhanced resonated profiles and spread over in the wide range (si
milar to 15 eV) at the incident photon energy of the transition-metal
2p(3/2) absorption peak. Comparing the obtained spectra with the resul
t of the cluster calculation of RPE spectra for transition-metal monox
ides carried out by Tanaka and Jo, we argued the differences of the tw
o parameters, charge transfer energy Delta and d-d Coulomb interaction
energy U-dd of these materials. It is suggested that MnPS3 and FePS3
are Mott-Hubbard type insulator with Delta > U-dd, while NiPS3 is a ch
arge transfer type insulator with Delta < U-dd.