Electronic structures and magnetisms of the Co2TiSb1-xSnx (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

doi:10.1088/1674-1056/24/12/126201

Abstract The total energy, electronic structures, and magnetisms of the AlCu₂Mn-type Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) with the different lattice parameter ratios of c/a are studied by using the first-principles calculations. It is found that the phase transformation from the cubic to the tetragonal structure lowers the total energy, indicating that the martensitic phase is more stable and that a phase transition from austenite to martensite may happen at a lower temperature. Thus, a ferromagnetic shape memory effect can be expected to occur in these alloys. The AlCu₂Mn-type Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) alloys are weak ferrimagnets in the austenitic phase and martensitic phase.

Keywords: Heusler alloy martensitic transformation ferromagnetic shape memory alloy

Received: 05 May 2015
Revised: 16 August 2015
Accepted manuscript online:

PACS:	62.20.fg	(Shape-memory effect; yield stress; superelasticity)
	63.20.dk	(First-principles theory)
	31.10.+z	(Theory of electronic structure, electronic transitions, and chemical binding)

Fund: Project supported by the Chongqing City Funds for Distinguished Young Scientists, China (Grant No. cstc2014jcyjjq50003), the Basic and Frontier Research Project of Chongqing City, China (Grant No. cstc2013jjB50001), the Project of Chongqing Normal University, China (Grant No. 13XLB030), and the Project of Scientific Research for High Level Talent in Colleges and Universities of Hebei Province, China (Grant No. GCC2014042).

Corresponding Authors: Liu Guo-Dong
E-mail: gdliu1978@126.com

Cite this article:

Wang Li-Ying (王立英), Dai Xue-Fang (代学芳), Wang Xiao-Tian (王啸天), Lin Ting-Ting (林婷婷), Chen Lei (陈磊), Liu Ran (刘然), Cui Yu-Ting (崔玉亭), Liu Guo-Dong (刘国栋) Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior 2015 Chin. Phys. B 24 126201

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Electronic structures and magnetisms of the Co2TiSb1-xSnx (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

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Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior