PL EN


Preferences help
enabled [disable] Abstract
Number of results
2012 | 121 | 5-6 | 1162-1164
Article title

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

Content
Title variants
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
Contributors
author
  • Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland
  • 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
  • Institute of Non-Ferrous Metals, J. Sowińskiego 5, 44-100 Gliwice, Poland
References
  • 1. V.K. Pecharsky, K.A. Gschneidner, Jr., Phys. Rev. Lett. 78, 4494 (1997)
  • 2. X.X. Zhang, G.H. Wen, F.W. Wang, W.H. Wang, C.H. Yu, G.H. Wu, Appl. Phys. Lett. 77, 3072 (2000)
  • 3. O. Tegus, E. Brück, K.H.J. Buschow, F.R. de Boer, Nature 415, 150 (2002)
  • 4. O. Tegus, B. Fuquan, W. Dagula, L. Zhang, E. Brück, P.Z. Si, F.R. de Boer, K.H.J. Buschow, J. Alloys Comp. 396, 6 (2005)
  • 5. D. Liu, M. Yue, J. Zhang, T.M. McQueen, J.W. Lynn, X. Wang, Y. Chen, J. Li, R.J. Cava, X. Liu, Z. Altounian, Q. Huang, Phys. Rev. B 79, 014435 (2009)
  • 6. K. Schwarz, P. Mohn, J. Phys. F, Met. Phys. 14, L129 (1984)
  • 7. Electronic structure calculations of solids using the WIEN2k package for material science, K. Schwarz, P. Blaha, G.K.H. Madsen, Comp. Phys. Commun. 147, 71 (2002)
  • 8. D. Singh, Plane Waves, Pseudopotentials and the LAPW Method, Kluwer Academic, Boston 1994
  • 9. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv121n5-6p52kz
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.