Structural and Magnetic Properties of Mn2NiZ (Z = Ga, In, Sn, Sb) Heusler Alloys from Ab Initio Calculations

Vladimir V. Sokolovskiy; Mikhail A. Zagrebin; Y.A. Sokolovskaya; Vasiliy D. Buchelnikov

doi:10.4028/www.scientific.net/SSP.233-234.229

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HomeSolid State PhenomenaSolid State Phenomena Vols. 233-234Structural and Magnetic Properties of Mn2NiZ (Z =...

Structural and Magnetic Properties of Mn₂NiZ (Z = Ga, In, Sn, Sb) Heusler Alloys from Ab Initio Calculations

Abstract:

The structural and magnetic properties of Mn-based stoichiometric Heusler alloys have investigated by means of ab initio calculations in framework of the density functional theory. First principles electronic structure calculations have shown that Mn₂NiZ (Z = Ga, In, Sn, Sb) alloys are ferrimagnets with antiparallel alignment between the Mn atoms. The martensitic transition can be realized in Mn₂NiGa and Mn₂NiSn alloys with tetragonal ratio of 1.27 and 1.16, respectively. Calculated properties are in a good agreement with available experimental data.

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Solid State Phenomena (Volumes 233-234)

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229-232

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.233-234.229

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Online since:

July 2015

Authors:

Vladimir V. Sokolovskiy*, Mikhail A. Zagrebin, Y.A. Sokolovskaya, Vasiliy D. Buchelnikov

Keywords:

Exchange Couplings, First Principles, Lattice Relaxation, Mn-Based Heusler Alloys

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