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

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	Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations
	Li, Chun-Mei; Hu, Qing-Miao; Yang, Rui; Johansson, Borje; Vitos, Levente; cmli@imr.ac.cn
	2015
发表期刊	PHYSICAL REVIEW B
ISSN	1098-0121
卷号	91 期号:17 页码:-
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.
部门归属	[li, chun-mei] shenyang normal univ, coll phys sci & technol, shenyang 110034, peoples r china ; [li, chun-mei ; hu, qing-miao ; yang, rui] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china ; [johansson, borje ; vitos, levente] royal inst technol, dept mat sci & engn, appl mat phys, se-10044 stockholm, sweden ; [johansson, borje ; vitos, levente] uppsala univ, dept phys, condensed matter theory grp, se-75120 uppsala, sweden ; [johansson, borje] dalian univ technol, sch phys & optoelect technol, dalian 116024, peoples r china ; [johansson, borje] dalian univ technol, coll adv sci & technol, dalian 116024, peoples r china ; [vitos, levente] res inst solid state phys & opt, h-1525 budapest, hungary
资助者	NSFC [51171187, 51271181, 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)
收录类别	sci
语种	英语
WOS记录号	WOS:000355088000002
引用统计	被引频次：16[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/75235
专题	中国科学院金属研究所
通讯作者	cmli@imr.ac.cn
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):-.
APA	Li, Chun-Mei,Hu, Qing-Miao,Yang, Rui,Johansson, Borje,Vitos, Levente,&cmli@imr.ac.cn.(2015).Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations.PHYSICAL REVIEW B,91(17),-.
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):-.