| 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 Author | Hu, Qing-Miao(qmhu@imr.ac.cn) |
| 2010-02-01 | |
| Source Publication | PHYSICAL REVIEW B
 |
| ISSN | 1098-0121 |
| Volume | 81Issue:6Pages:5 |
| Abstract | 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. |
| Funding Organization | MoST of China ; NSFC ; Swedish Research Council ; Swedish Foundation for Strategic Research ; Hungarian Scientific Research Fund ; Carl Tryggers Foundation |
| DOI | 10.1103/PhysRevB.81.064108 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 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 Research Area | Physics |
| WOS Subject | Physics, Condensed Matter |
| WOS ID | WOS:000274998100037 |
| Publisher | AMER PHYSICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/102081 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Hu, Qing-Miao |
| Affiliation | 1.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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