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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
Source PublicationPHYSICAL REVIEW B
ISSN1098-0121
Volume92Issue:2Pages:-
AbstractThe 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.
description.department[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
Funding OrganizationNational 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
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75211
Collection中国科学院金属研究所
Corresponding Authorcmli@imr.ac.cn
Recommended Citation
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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