On the interpretation of 3dNions photoemission spectra. I. A comparative study for the valence band of FeO, CoO, and NiO
Authors:
- 15 February 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (4) , 2163-2173
Abstract
This paper combines some aspects of the theory of level splitting and of the theory of photoemission intensity and thus provides a unified framework for a quantitative interpretation of the valence band photoemission spectra of 3dN ions in complexes and/or solids. The approach to the position of the photoemission peaks lies on a simplified LCAO–MO model, namely, the Koide–Pryce model involving ε2 terms. Two mechanisms are proposed for the intensity of the photopeaks : Both of them take configuration interaction into account but they differ in that one of them includes additional interference processes between the ejection of t2 and e photoelectrons and the other one does not. The formalism is applied to FeO, CoO, and NiO.Keywords
This publication has 54 references indexed in Scilit:
- On the FeO valence band photoemission spectraThe Journal of Chemical Physics, 1980
- X-Ray Photoelectron Band Structure of Some Transition-Metal CompoundsPhysical Review B, 1973
- Open-Shell Self-Consistent-Field Molecular-Orbital Theory for Transition-Metal ClustersPhysical Review B, 1971
- Radial Expansion of 3d Orbitals and the Near Degeneracy of the A41g and E4g Excited States of Octahedral Mn(II) ComplexesThe Journal of Chemical Physics, 1971
- Electrical and Optical Properties of Narrow-Band MaterialsPhysical Review B, 1970
- Covalency effects in the spectrum of the tetrachloroferrate(III) anionRecueil des Travaux Chimiques des Pays-Bas, 1967
- Effect of Configuration Mixing and Covalency on the Energy Spectrum of RubyPhysical Review B, 1961
- Octahedral complexes. Part 2.—The calculation of spin-orbit coupling energiesTransactions of the Faraday Society, 1960
- Optical Absorption of CoO and MnO above and below the Néel TemperaturePhysical Review B, 1959
- The Interelectronic Repulsion Integrals and the Purity of Molecular Orbital Configurations, as Derived from the Absorption Spectra of Transition Group Complexes.Acta Chemica Scandinavica, 1958