Pressure dependence of Curie temperature and resistivity in complex Heusler alloys

Details Pressure dependence of Curie temperature and resistivity in complex Heusler alloys Pressure dependence of Curie temperature and resistivity in complex Heusler alloys

2010-10-14

arxiv.org/abs/1010.3025v2

Physical Review B, vol. 84, 174422 (2011)

Physics

Condensed Matter

Materials Science

8 pages, 4 figures Original version revised according to comments from the referees

Scientific paper

10.1103/PhysRevB.84.174422

Using first-principles electronic structure calculations, we have studied the dependence of the Curie temperature on external hydrostatic pressure for random Ni2MnSn Heusler alloys doped with Cu and Pd atoms, over the entire range of dopant concentrations. The Curie temperatures are calculated by applying random-phase approximation to the Heisenberg Hamiltonian whose parameters are determined using the linear response and multiple scattering methods, based on density-functional theory. In (Ni1-x,Pdx)2MnSn alloys, the Curie temperature is found to increase with applied pressure over the whole concentration range. The crossover from the increase to the decrease of the Curie temperature with pressure takes place for Cu concentrations larger than about 70% in (Ni1-x,Cux)2MnSn Heusler alloys. The results for the reference Ni2MnSn Heusler alloy agree well with a previous theoretical study of E. Sasioglu, L. M. Sandratskii and P. Bruno Phys. Rev. B 71 214412 (2005) and also reasonably well with available experimental data. Results for the spin-disorder-induced part of the resistivity in (Ni1-x,Pdx)2MnSn Heusler alloys, calculated by using the disordered local moment model, are also presented. Finally, a qualitative understanding of the results, based on Anderson's superexchange interaction and Stearn's model of the indirect exchange interaction between localized and itinerant d electrons, is provided.

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