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Magnetoelastic effects in Ni2Mn1+xGa1-x alloys from first-principles calculations
Hu, Qing-Miao1,2; Li, Chun-Mei1,2; Kulkova, Svetlana E.3; Yang, Rui1; Johansson, Borje2,4,5; Vitos, Levente2,4,6
Corresponding AuthorHu, Qing-Miao(qmhu@imr.ac.cn)
2010-02-01
Source PublicationPHYSICAL REVIEW B
ISSN1098-0121
Volume81Issue:6Pages:5
AbstractThe 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.
Funding OrganizationMoST of China ; NSFC ; Swedish Research Council ; Swedish Foundation for Strategic Research ; Hungarian Scientific Research Fund ; Carl Tryggers Foundation
DOI10.1103/PhysRevB.81.064108
Indexed BySCI
Language英语
Funding ProjectMoST 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 Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000274998100037
PublisherAMER PHYSICAL SOC
Citation statistics
Cited Times:14[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/102081
Collection中国科学院金属研究所
Corresponding AuthorHu, Qing-Miao
Affiliation1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
2.Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden
3.Russian Acad Sci, Inst Strength Phys & Mat Sci, Siberian Branch, Tomsk 634021, Russia
4.Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, SE-75121 Uppsala, Sweden
5.Dalian Univ Technol, Coll Adv Sci & Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China
6.Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary
Recommended Citation
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.
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