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Theoretical investigation of the magnetic and structural transitions of Ni-Co-Mn-Sn metamagnetic shape-memory alloys
Li, Chun-Mei; Hu, Qing-Miao; Yang, Rui; Johansson, Boerje; Vitos, Levente; cmli@imr.ac.cn
2015
发表期刊PHYSICAL REVIEW B
ISSN1098-0121
卷号92期号:2页码:-
摘要The composition-dependent crystal structure, elastic modulus, phase stability, and magnetic property of Ni2-xCoxMn1.60Sn0.40 (0 <= x <= 0.50) are studied by using first-principles calculations in combination with atomistic spin dynamics method. It is shown that the present lattice parameters and Curie temperature (T-C) are in agreement with the available experimental data. The martensitic phase transformation (MPT) occurs for x < 0.43, where the austenite is in the ferromagnetic (FM) state whereas the martensite is in the antiferromagnetic (AFM) one at 0 K. The x dependence of the lattice parameter, elastic modulus, and energy difference between the FM austenite and the AFM martensite well accounts for the decrease of the MPT temperature (TM) with the Co addition. With increasing x, the increase of the magnetic excitation energy between the paramagnetic and FM austenite of these alloys is in line with the T-C similar to x. The Ni 3d as well as the Co 3d electronic states near the Fermi level are confirmed mainly dominating the phase stability of the studied alloys.
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, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china ; [johansson, boerje ; vitos, levente] royal inst technol, dept mat sci & engn, appl mat phys, se-10044 stockholm, sweden ; [johansson, boerje ; vitos, levente] uppsala univ, dept phys, condensed matter theory grp, se-75120 uppsala, sweden ; [johansson, boerje] dalian univ technol, sch phys & optoelect technol, dalian 116024, peoples r china ; [johansson, boerje] 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National Natural Science Foundation of China [51171187, 51271181, 51301176]; Ministry of Science and Technology of China [2014CB644001]; China Postdoctoral Science Foundation; Institute of Metal Research, Chinese Academy of Sciences; Shenyang National Laboratory for Material Science
收录类别sci
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/75211
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. Theoretical investigation of the magnetic and structural transitions of Ni-Co-Mn-Sn metamagnetic shape-memory alloys[J]. PHYSICAL REVIEW B,2015,92(2):-.
APA Li, Chun-Mei,Hu, Qing-Miao,Yang, Rui,Johansson, Boerje,Vitos, Levente,&cmli@imr.ac.cn.(2015).Theoretical investigation of the magnetic and structural transitions of Ni-Co-Mn-Sn metamagnetic shape-memory alloys.PHYSICAL REVIEW B,92(2),-.
MLA Li, Chun-Mei,et al."Theoretical investigation of the magnetic and structural transitions of Ni-Co-Mn-Sn metamagnetic shape-memory alloys".PHYSICAL REVIEW B 92.2(2015):-.
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