Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys
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
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.
ab initio calculations, antimony alloys, copper alloys, Curie temperature, defect states, ferromagnetic materials, manganese alloys, nickel alloys, thermal expansion
National CategoryNatural Sciences
IdentifiersURN: urn:nbn:se:liu:diva-18546DOI: 10.1103/PhysRevB.79.134417OAI: oai:DiVA.org:liu-18546DiVA: diva2:220397
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.
Copyright: American Physical Society