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Site preference and electronic structure of Mn<sub>2</sub>RuSn: A theoretical study

Author:
Jianguo Chen  Hongzhi Luo  Pengzhong Jia  Fanbin Meng  Guodong Liu  Enke Liu  Wenhong Wang  Guangheng Wu  


Journal:
Journal of Magnetism and Magnetic Materials


Issue Date:
2014


Abstract(summary):

Abstract The site preference, electronic structure and magnetism of a newly discovered Heusler alloy Mn 2 RuSn have been investigated. The Hg 2 CuTi-type (XA) structure is found to be energetically favored in Mn 2 RuSn. Mn 2 RuSn is a normal ferrimagnetic metal at equilibrium lattice constant, but with 2% contraction of the lattice, it becomes a half-metal with a spin moment of 2μ B . A tetragonal martensitic transformation is predicted in Mn 2 RuSn. The total moment of the tetragonal phase is near zero, which results in a large Δ M between the saturation moments of martensite and austenite. Finally, in tetragonal Mn 2 RuSn, a high spin polarization ratio of 93% is predicted. These properties make Mn 2 RuSn a potential candidate for spintronics materials. Highlights • Hg 2 CuTi-type structure is energetically favored in Heusler alloy Mn 2 RuSn. • Mn 2 RuSn becomes half-metallic with a small contraction of the lattice. • A tetragonal martensitic transformation is predicted in Mn 2 RuSn. • Mn 2 RuSn can be a potential candidate for spintronic applications like STT.


Page:
132-132


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