Ab Initio Investigations of Structural and Magnetic Properties of Cr-Doped Ni-Co-Mn-Sn Heusler Alloys

Abstract:

Ab initio calculations were performed to investigate composition dependences of crystal lattice parameters, magnetic moments,bulk modulus, magnetic exchange parameters inNi_2-yCo_yMn_1.5-xCr_xSn_0.5 (y =0.2, 0.4; 0.0 ≤ x ≤ 0.4) Heusler alloys. It was shown that increasing of Cr content (x) firstly leads an increasing of lattice parameter, but then a decreasing. The strongest ferromagnetic (FM) interaction for Ni_1.6Co_0.4Mn_1.4Cr_0.1Sn_0.5 is nearest-neighbor interaction between Co and Mn₁ (on own sites). The strongest antiferromagnetic (AFM) interaction is observed between nearest-neighbor Mn₁-Cr atoms in the first coordination sphere and it is equal to-15 meV. Total magnetic moment of Ni_2-yCo_yMn_1.5-xCr_xSn_0.5 (y =0.2, 0.4; 0.0 ≤ x ≤ 0.4) takes value in region from 6.1 μ_B to 6.6 μ_B.

• Periodical: Materials Science Forum (Volume 845)
• Pages: 134-137
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.845.134
• Online since: March 2016
• Authors: Elizaveta E. Smolyakova*, Mikhail A. Zagrebin, V.V. Sokolovskiy, Vasiliy D. Buchelnikov
• Keywords: Exchange Parameters, First Principles Calculations, Heusler Alloys

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