Ab Initio Study of Electronic Structure and Magnetic Properties of Gd(Ni_{1-x}Fe_x)_3 Alloys

• Authors: J. Deniszczyk , A. Woźniakowski , W. Borgieł
• Languages of publication: EN

Abstracts

EN

We present the ab initio investigations of the electronic and magnetic properties of magnetocaloric Gd(Ni_{1-x}Fe_x)_3 alloys. To simulate fractional concentrations the supercell approach was implemented and different configurations of iron atoms were considered. Energetical analysis of site preference and magnetic order was performed. The concentration dependence of the averaged total and local magnetic moments and of the valence band photoemission spectra are presented and discussed in reference to experimental data.

Keywords

EN

71.20.Be; 79.60.Bm

Discipline

• 71.20.Be: Transition metals and alloys
• 79.60.Bm: Clean metal, semiconductor, and insulator surfaces

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2012
• Volume: 121
• Issue: 5-6
• Pages: 1156-1158

Dates

published

2012-05

Contributors

author

J. Deniszczyk

• Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland

author

A. Woźniakowski

• Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland

author

W. Borgieł

• August Chełkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

References

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• 5. V.I. Anisimov, F. Aryasetiawan, A.I. Lichtenstein, J. Phys., Condens. Matter 9, 767 (1997)
• 6. J.J. Yeh, I. Lindau, At. Data Nucl. Data Tables 32, 1 (1985)

Identifiers

DOI

10.12693/APhysPolA.121.1156