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Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
Royal Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
2009 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 79, no 13, 134417- p.Article in journal (Refereed) Published
Abstract [en]

We demonstrate the importance of thermal effects such as temperature-induced electronic, magnetic and vibrational excitations, as well as structural defects in the first-principles calculations of the magnetic critical temperature of complex alloys using half-Heusler Ni1-xCuxMnSb alloys as a case study. The thermal lattice expansion and one-electron excitations have been accounted for self-consistently in the Curie temperature calculations. In the Ni-rich region, electronic excitations, thermal expansion, and structural defects substantially decrease the calculated Curie temperature. At the same time, some defects are shown to increase T-C in Cu-rich samples.

Place, publisher, year, edition, pages
2009. Vol. 79, no 13, 134417- p.
Keyword [en]
ab initio calculations, antimony alloys, copper alloys, Curie temperature, defect states, ferromagnetic materials, manganese alloys, nickel alloys, thermal expansion
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:liu:diva-18546DOI: 10.1103/PhysRevB.79.134417OAI: oai:DiVA.org:liu-18546DiVA: diva2:220397
Note
Original Publication: Björn Alling, A V Ruban and Igor Abrikosov, Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys, 2009, PHYSICAL REVIEW B, (79), 13, 134417. http://dx.doi.org/10.1103/PhysRevB.79.134417 Copyright: American Physical Society http://www.aps.org/ Available from: 2009-06-01 Created: 2009-06-01 Last updated: 2017-12-13

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Alling, BjörnAbrikosov, Igor

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