Origin of magnetic properties and martensitic transformation of Ni-Mn-In magnetic shape memory alloys
Origin of magnetic properties and martensitic transformation of Ni-Mn-In magnetic shape memory alloys
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DOI：
10.1063/1.3697637
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发表时间：
2012-03
影响因子：
4
通讯作者：
Chaoliang Tan;Y. Huang;X. Tian;J. X. Jiang;W. Cai
中科院分区：
文献类型：
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作者：
Chaoliang Tan;Y. Huang;X. Tian;J. X. Jiang;W. Cai
通过第一性原理计算揭示了Ni2Mn1+xIn1−x形状记忆合金独特的磁性和马氏体相变的性质。马氏体相变所产生的不寻常的磁性是由Mn-Mn原子间距离的变化引起的。确定了磁相互作用变化所对应的Mn-Mn原子间距离的临界值。当x = 0.5时，在马氏体相变时，在费米能级上Ni三维态的强度下降。此外，Ni - mn三维杂化在建立磁性能和促进马氏体相变中起着重要作用。
The nature of unique magnetic properties and martensitic transformation of Ni2Mn1+xIn1−x shape memory alloy has been revealed by first-principles calculations. The uncommon magnetic properties occurring upon martensitic transformation are originated from the change of Mn-Mn interatomic distances. The critical value of Mn-Mn interatomic distance corresponding to the change of magnetic interactions has been determined. A decrease of the intensity of Ni 3d states at the Fermi level upon martensitic transformation has been observed for x = 0.5. Moreover, the Ni 3d-Mn 3d hybridization plays an important role in establishing the magnetic properties and driving the martensitic transformation.