A PROPER ANDERSON-HAMILTONIAN TREATMENT OF THE 3S PHOTOELECTRON-SPECTRA OF MNO, FEO, COO AND NIO

Citation
L. Sangaletti et al., A PROPER ANDERSON-HAMILTONIAN TREATMENT OF THE 3S PHOTOELECTRON-SPECTRA OF MNO, FEO, COO AND NIO, Chemical physics letters, 245(4-5), 1995, pp. 463-468
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
245
Issue
4-5
Year of publication
1995
Pages
463 - 468
Database
ISI
SICI code
0009-2614(1995)245:4-5<463:APATOT>2.0.ZU;2-8
Abstract
X-ray photoelectron spectra of the 3s core lines of NiO, CoO, FeO and MnO obtained on high-quality single crystals are interpreted on the ba sis of an impurity-cluster configuration-interaction model where the e xchange and the intra-atomic M-shell charge redistribution energies ar e evaluated ab initio, Good agreement between the experimental and cal culated binding energies and the intensity of the spectral components is obtained. These results clarify the interplay among the charge tran sfer, exchange and intra-atomic charge redistribution effects on the s pectral structure.