Ab Initio Study of Electronic and Magnetic Structure and Structural Phase Transition of (Fe_{1 - x}Mn_{x})_2P_{1 - y}Ge_{y} Alloys

• Authors: J. Deniszczyk , A. Woźniakowski , R. Kolano , A. Kolano-Burian
• Languages of publication: EN

Abstracts

EN

The paper presents results of the ab initio electronic structure calculations performed for the (Fe_{0.5}Mn_{0.5})_2P_{0.67}Ge_{0.33} alloy, a member of (Fe_{1 - x}Mn_{x})_2P_{1 - y}Ge_{y} family of alloys showing a giant magnetocaloric effect. Calculations confirmed the strong relationship between the magnetic state and crystal structure of the alloy. To investigate the isostructural phase transition driven by external magnetic field observed in (Fe_{0.9}Mn_{1.1})P_{0.8}Ge_{0.2} we utilized the fixed spin moment approach. Total energy analysis confirmed the occurrence of isostructural phase transition.

Keywords

EN

71.20.Be; 75.20.Hr

Discipline

• 71.20.Be: Transition metals and alloys
• 75.20.Hr: Local moment in compounds and alloys; Kondo effect, valence fluctuations, heavy fermions(for Kondo effect and scattering mechanisms in electronic conduction, see 72.15.Qm and 72.10.Fk)

• Journal: Acta Physica Polonica A
• Year: 2012
• Volume: 121
• Issue: 5-6
• Pages: 1162-1164

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

R. Kolano

• Institute of Non-Ferrous Metals, J. Sowińskiego 5, 44-100 Gliwice, Poland

author

A. Kolano-Burian

• Institute of Non-Ferrous Metals, J. Sowińskiego 5, 44-100 Gliwice, Poland

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Identifiers

DOI

10.12693/APhysPolA.121.1162