ELECTRONIC-STRUCTURE, BIS, CORE-LEVEL XPS AND XAS IN CEPD7 - EXPERIMENTAL AND THEORETICAL-STUDIES

Citation
E. Beaurepaire et al., ELECTRONIC-STRUCTURE, BIS, CORE-LEVEL XPS AND XAS IN CEPD7 - EXPERIMENTAL AND THEORETICAL-STUDIES, Journal of physics. Condensed matter, 5(32), 1993, pp. 5841-5850
Citations number
30
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09538984
Volume
5
Issue
32
Year of publication
1993
Pages
5841 - 5850
Database
ISI
SICI code
0953-8984(1993)5:32<5841:EBCXAX>2.0.ZU;2-V
Abstract
The electronic structure of CePd7 is studied using various spectroscop ic techniques (BIS, 3d/XPS and 2p/XAS). The strong delocalization of t he Ce 4f electrons, previously suggested by low-temperature specific h eat and magnetic susceptibility measurements, is consistent with the s pectra we present here. A standard LMTO band structure calculation is performed in the case of CePd7 and its-reference compound YPd7. The ba nds thus determined, especially the last valence and first conduction bands, mostly arising from Pd 4d and Ce 4f states, are actually hybrid ized; they provide a good description of the density of states at the Fermi level and a qualitative agreement with Bis spectra. Furthermore the occurrence of satellites in core-level spectra indicates a fairly strongly correlated nature of the 4f states in CePd7. In the next step , the information contained in the LmTo density of states is used to b uild an impurity Anderson Hamiltonian which incorporates the various C oulomb interactions necessary to analyse the above-mentioned spectrosc opic processes within a single set of parameter values for CePd7. Limi ts and relevance of both theoretical models are discussed.