中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Role of magnetic and atomic ordering in the martensitic transformation of Ni-Mn-In from a first-principles study

文献类型:期刊论文

作者C. M. Li ; H. B. Luo ; Q. M. Hu ; R. Yang ; B. Johansson ; L. Vitos
刊名Physical Review B
出版日期2012
卷号86期号:21
关键词shape-memory alloys crystal-structure electronic-structure phase-stability transition dependence metals
ISSN号1098-0121
中文摘要The composition-dependent lattice parameters, crystal structure, elastic properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x (0 <= x <= 0.6) are studied by using first-principles calculations. It is shown that the martensitic phase transition (MPT) from cubic L2(1) to tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to antiferromagnetic (AFM) transition, at around the critical composition x = 0.32, in agreement with the experimental measurement. The Mn-In atomic disorder leads to decreasing stability of the martensite relative to the austenite, which depresses the MPT. The shear elastic constant C' of the parent phase first decreases slightly with increasing x and then remains almost unchanged above x = 0.32, indicating C' alone cannot account for the increase of the MPT temperature with x. The total magnetic moments for the L2(1) phase are in good agreement with those determined by experiments, whereas for the L1(0) phase they are slightly larger than the experimental data due to the possibleMn-In atomic disorder in the sample. The calculated density of states demonstrate that the covalent bonding between the minority spin states of Ni and In plays an important role in both the magnetic and structural stability. DOI: 10.1103/PhysRevB.86.214205
原文出处://WOS:000312063700003
公开日期2013-02-05
源URL[http://ir.imr.ac.cn/handle/321006/60048]  
专题金属研究所_中国科学院金属研究所
推荐引用方式
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C. M. Li,H. B. Luo,Q. M. Hu,et al. Role of magnetic and atomic ordering in the martensitic transformation of Ni-Mn-In from a first-principles study[J]. Physical Review B,2012,86(21).
APA C. M. Li,H. B. Luo,Q. M. Hu,R. Yang,B. Johansson,&L. Vitos.(2012).Role of magnetic and atomic ordering in the martensitic transformation of Ni-Mn-In from a first-principles study.Physical Review B,86(21).
MLA C. M. Li,et al."Role of magnetic and atomic ordering in the martensitic transformation of Ni-Mn-In from a first-principles study".Physical Review B 86.21(2012).

入库方式: OAI收割

来源:金属研究所

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