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Title: Electronic structure and X-ray photoelectron spectra of YNi4B compound
Authors: Pugaczowa-Michalska, M.
Chełkowska, Grażyna
Kowalczyk, A.
Keywords: metale ziem rzadkich; stopy; spektroskopia elektronowa; gęstość elektronowa stanów; struktura pasmowa krystalicznych ciał stałych; mechanika statystyczna
Issue Date: 2003
Citation: Acta Physica Polonica A, Vol. 104, nr 5 (2003), s. 487-494
Abstract: The electronic structure of the tern ary Y Ni4 B compoun d, crystalli zin g in the hexagonal CeCo4 B structure ( P 6= m m m space group ), was studied by X -ray photo electron spectroscopy and ab initio calculations. Core levels and the valence band were investigated. T he X- ray photo electron spectroscopy valence band is compared with that obtained from ab initi o calculations. The valence band spectrum at the Fermi level exhibits the domination of the Ni( 3 d ) states, which are hybridized with 4d states of Y and 2p states of B. The theoretical electronic specific heat coeffcient Û derived from N ( E F ) is about 11.33 mJ /(mol K 2 ) for exp erimental lattice parameters. T he calculated bulk modulus is B 0 = 1 :61632 Mbar.
ISSN: 0587-4246
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