Ni2Mn1.2Ga0.8合金完整马氏体相变序列及磁性能的变化第一性原理计算研究
首发时间:2019-01-04
摘要:本文通过第一性原理计算系统性研究了非化学计量比Ni2Mn1.2Ga0.8铁磁形状记忆合金完整的马氏体转变序列和磁性能。计算结果表明,在冷却的过程中Ni2Mn1.2Ga0.8合金的马氏体转变序列为:顺磁性奥氏体(PA)→铁磁性奥氏体(FA)→7M→NM马氏体,与实验观察结果一致。当Ni2Mn1.2Ga0.8合金由铁磁奥氏体相(FA)转变为马氏体相(7M或NM)时,费米面处自旋向下的电子态密度峰急剧下降,从本质上解释了低温下马氏体相(7M或NM)比奥氏体相(FA)更稳定的根本原因。
关键词: 铁磁形状记忆合金 Ni-Mn-Ga 第一性原理计算 马氏体转变序列 磁性能
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Complete martensitic transformation sequence and magnetic properties of non-stoichiometric Ni2Mn1.2Ga0.8alloy by first-principles calculations
Abstract:The complete martensitic transformation sequence and magnetic properties of the non-stoichiometric Ni2Mn1.2Ga0.8 alloy have been revealed by the first-principles calculations. The calculated martensitic transformation sequence of the Ni2Mn1.2Ga0.8 alloy during cooling is Paramagnetic Austenite (PA)→Ferromagnetic Austenite (FA)→7M→NM, which is consistent with the experimental observations. When the cubic FA phase transforms to a 7M or NM martensitic phase, a significant reduction of the down-spin total density of states occurred at the Fermi level. This makes the martensitic phase more stable than the FA phase at low temperature.
Keywords: ferromagnetic shape memory alloy Ni-Mn-Ga first-principles calculations martensitictransformation sequence magnetic property
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Ni2Mn1.2Ga0.8合金完整马氏体相变序列及磁性能的变化第一性原理计算研究
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