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 13Article 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
ab initio calculations, antimony alloys, copper alloys, Curie, temperature, defect states, ferromagnetic materials, manganese alloys, nickel alloys, thermal expansion, half-metallic ferromagnets, magnetic-properties, nimnsb, behavior
IdentifiersURN: urn:nbn:se:kth:diva-18408DOI: 10.1103/PhysRevB.79.134417ISI: 000265942800078ScopusID: 2-s2.0-65649099289OAI: oai:DiVA.org:kth-18408DiVA: diva2:336455
QC 201005252010-08-052010-08-052010-12-10Bibliographically approved