Magnetoelastic effects in Ni(2)Mn(1+x)Ga(1-x) alloys from first-principles calculations

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	Magnetoelastic effects in Ni(2)Mn(1+x)Ga(1-x) alloys from first-principles calculations
	Q. M. Hu; C. M. Li; S. E. Kulkova; R. Yang; B. Johansson; L. Vitos
	2010
发表期刊	Physical Review B
ISSN	1098-0121
卷号	81 期号:6
摘要	The magnetic coupling between Mn atoms on Ga sublattice (Mn(Ga)) and Mn atoms on Mn sublattice (Mn(Mn)) in Ni(2)Mn(1+x)Ga(1-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 Ni(2)Mn(1+x)Ga(1-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 Ni(2)Mn(1+x)Ga(1-x) with antiparallel Mn(Ga)-Mn(Mn) magnetic coupling is in line with the general C'-T(M) relationship for Ni(2)MnGa-based alloys, in contrast to the case of parallel Mn(Ga)-Mn(Mn) magnetic coupling.
部门归属	[hu, qing-miao; li, chun-mei; yang, rui] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [hu, qing-miao; li, chun-mei; johansson, borje; vitos, levente] royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. [kulkova, svetlana e.] russian acad sci, inst strength phys & mat sci, siberian branch, tomsk 634021, russia. [johansson, borje; vitos, levente] uppsala univ, dept phys, condensed matter theory grp, se-75121 uppsala, sweden. [johansson, borje] dalian univ technol, coll adv sci & technol, sch phys & optoelect technol, dalian 116024, peoples r china. [vitos, levente] res inst solid state phys & opt, h-1525 budapest, hungary.;hu, qm (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china;qmhu@imr.ac.cn
关键词	Shape-memory Alloys Electronic-structure Martensitic Phase Potential Model Heusler Alloys Ni2mnga Transformation Approximation Strain
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31160
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Q. M. Hu,C. M. Li,S. E. Kulkova,et al. Magnetoelastic effects in Ni(2)Mn(1+x)Ga(1-x) alloys from first-principles calculations[J]. Physical Review B,2010,81(6).
APA	Q. M. Hu,C. M. Li,S. E. Kulkova,R. Yang,B. Johansson,&L. Vitos.(2010).Magnetoelastic effects in Ni(2)Mn(1+x)Ga(1-x) alloys from first-principles calculations.Physical Review B,81(6).
MLA	Q. M. Hu,et al."Magnetoelastic effects in Ni(2)Mn(1+x)Ga(1-x) alloys from first-principles calculations".Physical Review B 81.6(2010).