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Electronic band structure of the CeNi 4 Ga compound
Author(s) -
Kowalczyk A.,
PugaczowaMichalska M.,
Toliński T.
Publication year - 2005
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200460055
Subject(s) - fermi level , density of states , electronic structure , ternary operation , condensed matter physics , paramagnetism , valence (chemistry) , materials science , fermi energy , photoemission spectroscopy , crystallography , chemistry , nuclear magnetic resonance , x ray photoelectron spectroscopy , electron , physics , organic chemistry , quantum mechanics , computer science , programming language
New results of the electronic properties of the CeNi 4 Ga compound are reported. The magnetic susceptibility, X‐ray photoemission spectroscopy and theoretical calculations suggest that this compound exhibits features typical of paramagnetic state and mixed‐valence behavior. The electronic structure of the ternary CeNi 4 Ga compound, crystallizing in the hexagonal CaCu 5 structure is studied by ab‐initio calculations. Below the Fermi energy the total density of states contains mainly the d‐states of Ni atoms. The narrow peak of the f‐states of Ce atoms is found above the Fermi level. The density of states is N ( E F ) = 7.33 states/(eV f.u.) at the Fermi level. The electronic specific heat coefficient γ estimated from the band calculations is about 28.7 mJ/mol K 2 . (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)