Electronic Properties of CeNiAl4 Based on ab initio Calculations and XPS Measurements
M. Werwińskia, G. Chełkowskab, A. Szajeka and A. Kowalczyka
aInstitute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
bA. Chełkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland
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The CeNiAl4 compound crystallizes in an orthorhombic YNiAl4-type structure with a Cmcm space group. The earlier susceptibility data and X-ray photoelectron spectroscopy (XPS) suggested a localized character of the 4f states in CeNiAl4 with a valence state close to a Ce+3 ion. In this work we present a combined theoretical and experimental study of the electronic structure for the Kondo dense system CeNiAl4 based on the XPS data and ab initio calculations. Using the band structure calculations the theoretical XPS valence band spectra are evaluated. Below the Fermi energy the total density of states contains mainly 3d states of Ni hybridized with Ce 4f states.

DOI: 10.12693/APhysPolA.133.517
PACS numbers: 71.20.b, 74.25.Jb