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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.
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Volume
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Pages
1162-1164
Physical description
Dates
published
2012-05
Contributors
author
- Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland
author
- Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland
author
- Institute of Non-Ferrous Metals, J. Sowińskiego 5, 44-100 Gliwice, Poland
author
- Institute of Non-Ferrous Metals, J. Sowińskiego 5, 44-100 Gliwice, Poland
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv121n5-6p52kz