Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys

Alling, BjörnLinköpings universitet,Teoretisk Fysik,Tekniska högskolan (författare)

QC 20100525
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/
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.

Ruban, Andrei V.KTH,Tillämpad materialfysik,Royal Institute of Technology(Swepub:kth)u1uo08he (författare)
Abrikosov, IgorLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)igoab43 (författare)
Linköpings universitetTeoretisk Fysik (creator_code:org_t)

Ingår i:Physical Review B. Condensed Matter and Materials Physics79:131098-01211550-235X

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