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Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys
Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska högskolan.
Royal Institute of Technology.
Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska högskolan.
2009 (engelsk)Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 79, nr 13, s. 134417-Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
2009. Vol. 79, nr 13, s. 134417-
Emneord [en]
ab initio calculations, antimony alloys, copper alloys, Curie temperature, defect states, ferromagnetic materials, manganese alloys, nickel alloys, thermal expansion
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Identifikatorer
URN: urn:nbn:se:liu:diva-18546DOI: 10.1103/PhysRevB.79.134417OAI: oai:DiVA.org:liu-18546DiVA, id: diva2:220397
Merknad
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/ Tilgjengelig fra: 2009-06-01 Laget: 2009-06-01 Sist oppdatert: 2017-12-13

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