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Electronic structure of CeRhIn5 and CeIrIn5

100%

Gamża M. , Ślebarski A. , Deniszczyk J.

Materials Science Poland

2006

tom Vol. 24, No. 3

569--576

We have performed Full Potential Linearized Augmented Plane-Wave (FP-LAPW) calculations of the layered cerium compounds CeRhIn5 and CeIrIn5, which belong to the new, intensively investigated family of heavy fermion (HF) materials. The ground states of this compounds can be tuned between antiferromagnetism (AFM) and superconductivity (SC) by external pressure or doping. We have carried out x-ray photoelectron spectroscopy (XPS) experiments to compare measured valence band spectra with theoretical calculations. We also analyse the XPS 3d Ce spectra, to estimate the occupation of the Ce 4f shell and the hybridization between 4f and conduction electrons. We have found and discussed an influence of the lattice parameter a and the d-f interatomic hybridization effect on the ground state properties in the series of CeMIn5 compounds.

Electronic structure of CeRh2Sn4

100%

Gamża M. , Schnelle W. , Ślebarski A. , Rosner H.

Materials Science Poland

2007

tom Vol. 25, No. 2

269--274

We performed a study of the compound CeRh2Sn4, not investigated so far. Our samples were carefully characterized by X-ray powder diffraction analysis and by locally resolved, energy dispersive X-ray spectroscopy (EDXS). We present a combined experimental and theoretical study based on X-ray photoelectron spectroscopy (XPS) data together with ab initio band structure calculations. The Ce 3d XPS spectrum indicates a small mixed valence of Ce. Analysis of the 3d94f 2 weight using the Gunnarsson-Schönhammer theory suggests a hybridization between Ce 4f states and the conduction band of about 85 meV. The valence band spectrum, dominated by Rh 4d states, is in a very good agreement with the calculated one.