First-principles calculation of the intersublattice exchange interactions and Curie temperatures of full Heusler alloys Ni2MnX (X=Ga, In, Sn, Sb)

Details First-principles calculation of the intersublattice exchange interactions and Curie temperatures of full Heusler alloys Ni2MnX (X=Ga, In, Sn, Sb) First-principles calculation of the intersublattice exchange interactions and Curie temperatures of full Heusler alloys Ni2MnX (X=Ga, In, Sn, Sb)

2004-04-07

arxiv.org/abs/cond-mat/0404162v1

Phys. Rev. B 70, 024427 (2004)

Physics

Condensed Matter

Materials Science

6 pages, 4 figures

Scientific paper

10.1103/PhysRevB.70.024427

The interatomic exchange interactions and Curie temperatures in Ni-based full Heusler alloys Ni2MnX with X=Ga, In, Sn and Sb are studied within the framework of the density-functional theory. The calculation of the exchange parameters is based on the frozen-magnon approach. Despite closeness of the experimental Curie temperatures for all four systems their magnetism appeared to differ strongly. This difference involves both the Mn-Mn and Mn-Ni exchange interactions. The Curie temperatures, Tc, are calculated within the mean-field approximation by solving a matrix equation for a multi-sublattice system. Good agreement with experiment for all four systems is obtained. The role of different exchange interactions in the formation of Tc of the systems is discussed.

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