Electronic Structure and X-Ray Photoelectron Spectra of YNi_4B Compound

• Authors: M. Pugaczowa-Michalska , G. Chełkowska , A. Kowalczyk
• Languages of publication: EN

Abstracts

EN

The electronic structure of the ternary YNi_4B compound, crystallizing in the hexagonal CeCo_4B 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 coefficientγ 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.

Keywords

EN

71.20.Eh; 82.80.Pv; 71.20.-b; 63.70.+h

Discipline

• 71.20.-b: Electron density of states and band structure of crystalline solids
• 63.70.+h: Statistical mechanics of lattice vibrations and displacive phase transitions
• 71.20.Eh: Rare earth metals and alloys
• 82.80.Pv: Electron spectroscopy (X-ray photoelectron (XPS), Auger electron spectroscopy (AES), etc.)

• Journal: Acta Physica Polonica A
• Year: 2003
• Volume: 104
• Issue: 5
• Pages: 487-494

Dates

published

2003-11

received

2003-07-28

(unknown)

2003-09-12

Contributors

author

M. Pugaczowa-Michalska

• Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań, Poland

author

G. Chełkowska

• Institute of Physics, Silesian University, Uniwersytecka 4, 40-007 Katowice, Poland

author

A. Kowalczyk

• Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań, Poland

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Identifiers

DOI

10.12693/APhysPolA.104.487