| Electronic Structure and X-Ray Photoelectron Spectra of YNi 4 B Compound |
| M. Pugaczowa-Michalska a , G. Chełkowska b and A. Kowalczyk a a Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań, Poland b Institute of Physics, Silesian University, Uniwersytecka 4, 40-007 Katowice, Poland |
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| Received: July 28, 2003; in final form September 12, 2003 |
| The electronic structure of the ternary YNi 4 B compound, crystallizing in the hexagonal CeCo 4 B structure (P6/mmm space group), was studied by X-ray photoelectron spectroscopy and ab initio calculations. Core levels and the valence band were investigated. The X-ray photoelectron spectroscopy valence band is compared with that obtained from ab initio calculations. The valence band spectrum at the Fermi level exhibits the domination of the Ni(3d) states, which are hybridized with 4d states of Y and 2p states of B. The theoretical electronic specific heat coefficient γ derived from N(E F ) is about 11.33 mJ/(mol K 2 ) for experimental lattice parameters. The calculated bulk modulus is B 0 =1.61632 Mbar. |
| DOI: 10.12693/APhysPolA.104.487 PACS numbers: 71.20.Eh, 82.80.Pv, 71.20.--b, 63.70.+h |