Magnetoelastic effects in Ni2Mn1+xGa1-x alloys from first-principles calculations

doi:10.1103/PhysRevB.81.064108

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	Magnetoelastic effects in Ni2Mn1+xGa1-x alloys from first-principles calculations
	Hu, Qing-Miao 2,3; Li, Chun-Mei 2,3; Kulkova, Svetlana E.4; Yang, Rui 2; Johansson, Borje 1,3,5; Vitos, Levente 3,5,6
刊名	PHYSICAL REVIEW B
	2010-02-01
卷号	81 期号:6 页码:5
ISSN号	1098-0121
DOI	10.1103/PhysRevB.81.064108
通讯作者	Hu, Qing-Miao(qmhu@imr.ac.cn)
英文摘要	The magnetic coupling between Mn atoms on Ga sublattice (Mn-Ga) and Mn atoms on Mn sublattice (Mn-Mn) in Ni2Mn1+xGa1-x alloy and its effect on the elastic modulus of the alloy are investigated by the use of first-principles methods. It is shown that, for x = 0.25, the state with antiparallel Mn-Ga-Mn-Mn magnetic coupling is slightly more stable than that with parallel coupling, whereas for x = 0.10, both magnetic states are almost degenerated. For both antiparallel and parallel Mn-Ga-Mn-Mn magnetic couplings, the bulk modulus (B) of Ni2Mn1+xGa1-x deviates from the general e/a-B relationship with e/a being the number of valence electrons per atom. The shear modulus C' versus the martensitic transformation temperature T-M for Ni2Mn1+xGa1-x with antiparallel Mn-Ga-Mn-Mn magnetic coupling is in line with the general C'-T-M relationship for Ni2MnGa-based alloys, in contrast to the case of parallel Mn-Ga-Mn-Mn magnetic coupling.
资助项目	MoST of China[2006CB605104] ; NSFC[50871114] ; NSFC[08-02-92201a] ; Swedish Research Council ; Swedish Foundation for Strategic Research ; Hungarian Scientific Research Fund[T048827] ; Carl Tryggers Foundation
WOS研究方向	Physics
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000274998100037
资助机构	MoST of China ; NSFC ; Swedish Research Council ; Swedish Foundation for Strategic Research ; Hungarian Scientific Research Fund ; Carl Tryggers Foundation
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/102080]
专题	金属研究所_中国科学院金属研究所
通讯作者	Hu, Qing-Miao
作者单位	1.Dalian Univ Technol, Coll Adv Sci & Technol, Sch Phys & Optoelect Technol, Dalian 116024, 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, SE-10044 Stockholm, Sweden 4.Russian Acad Sci, Inst Strength Phys & Mat Sci, Siberian Branch, Tomsk 634021, Russia 5.Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, SE-75121 Uppsala, Sweden 6.Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary
推荐引用方式 GB/T 7714	Hu, Qing-Miao,Li, Chun-Mei,Kulkova, Svetlana E.,et al. Magnetoelastic effects in Ni2Mn1+xGa1-x alloys from first-principles calculations[J]. PHYSICAL REVIEW B,2010,81(6):5.
APA	Hu, Qing-Miao,Li, Chun-Mei,Kulkova, Svetlana E.,Yang, Rui,Johansson, Borje,&Vitos, Levente.(2010).Magnetoelastic effects in Ni2Mn1+xGa1-x alloys from first-principles calculations.PHYSICAL REVIEW B,81(6),5.
MLA	Hu, Qing-Miao,et al."Magnetoelastic effects in Ni2Mn1+xGa1-x alloys from first-principles calculations".PHYSICAL REVIEW B 81.6(2010):5.