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
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.