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Title: Electronic properties of CeNiAl4 based on ab initio calculations and XPS measurements
Authors: Werwiński, M.
Chełkowska, Grażyna
Szajek, A.
Kowalczyk, A.
Keywords: gęstość elektronowa stanów; struktura pasmowa krystalicznych ciał stałych; struktura elektroniczna
Issue Date: 2018
Citation: Acta Physica Polonica A, Vol. 133, nr 3 (2018), s. 517-519
Abstract: 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.
ISSN: 0587-4246
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