Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations

doi:10.1103/PhysRevB.91.174112

IMR OpenIR

	Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations
	Li, Chun-Mei 1,2; Hu, Qing-Miao 2; Yang, Rui 2; Johansson, Borje 3,4,5,6; Vitos, Levente 3,4,7
通讯作者	Li, Chun-Mei(cmli@imr.ac.cn)
	2015-05-26
发表期刊	PHYSICAL REVIEW B
ISSN	1098-0121
卷号	91 期号:17 页码:5
摘要	By using first principles in combination with atomistic spin dynamics calculational methods, we determine the temperature-dependent free energies of the L2(1)-and L1(0)-Ni-2(Mn1-xFex) Ga (0 <= x <= 1), including phonon vibrational and magnetic energies. The x-dependent martensitic phase transformation (MPT) temperature (T-M) and the Curie temperature (T-C) are well represented. It is found that, the abnormal nonmonotonic behavior of T-M similar to x mainly originates from the phonon vibrational free energy. The magnetic energy, which does not change the trend of T-M against x but decreases the driving force of the MPT, is indispensable as well to get reasonable T-M values. This insight provides a good understanding of the physical mechanisms driving the MPT of Ni-2(Mn1-xFex)Ga, and promotes the improvement of their magnetic shape memory properties.
资助者	NSFC ; MoST of China ; China Postdoctoral Science Foundation ; Institute of Metal Research (IMR), Chinese Academy of Sciences ; Shenyang National laboratory for Material Science (SYNL)
DOI	10.1103/PhysRevB.91.174112
收录类别	SCI
语种	英语
资助项目	NSFC[51171187] ; NSFC[51271181] ; NSFC[51301176] ; MoST of China[2014CB644001] ; China Postdoctoral Science Foundation ; Institute of Metal Research (IMR), Chinese Academy of Sciences ; Shenyang National laboratory for Material Science (SYNL)
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000355088000002
出版者	AMER PHYSICAL SOC
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/81043
通讯作者	Li, Chun-Mei
作者单位	1.Shenyang Normal Univ, Coll Phys Sci & Technol, Shenyang 110034, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 3.Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden 4.Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, SE-75120 Uppsala, Sweden 5.Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China 6.Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China 7.Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary
推荐引用方式 GB/T 7714	Li, Chun-Mei,Hu, Qing-Miao,Yang, Rui,et al. Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations[J]. PHYSICAL REVIEW B,2015,91(17):5.
APA	Li, Chun-Mei,Hu, Qing-Miao,Yang, Rui,Johansson, Borje,&Vitos, Levente.(2015).Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations.PHYSICAL REVIEW B,91(17),5.
MLA	Li, Chun-Mei,et al."Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations".PHYSICAL REVIEW B 91.17(2015):5.