o掺杂对Ni50Mn35.4In14.6合金马氏体相变和磁性能的影响
Effect of Co doping on martensitic transformation and magnetic properties of Ni50Mn35.4In14.6 alloy by first-principles calculations
本研究通过第一性原理计算和实验验证结合的方式系统地研究了Co掺杂对Ni24-xMn17In7Cox铁磁形状记忆合金的相稳定性、马氏体相变和磁性能的影响。研究结果表明：Co原子倾向于占据Ni的亚晶格格点；奥氏体的平衡晶格常数随着Co含量的增加而逐渐降低，且奥氏体、6M中间马氏体和NM非调制马氏体的相稳定性也逐渐降低，而居里温度逐渐升高。当Co含量在0<x<2时，该合金在冷却过程中马氏体相变路径为：顺磁性奥氏体→铁磁性奥氏体→6M马氏体→NM马氏体，而当x≥2时，马氏体相变路径为顺磁性奥氏体→铁磁性奥氏体→NM马氏体。在Co含量0≤x≤2时，合金有明显的磁结构耦合特征。与此同时，本文还基于电子态密度，讨论了磁结构转变的起源。
IThe effects of Co doping on the phase stability, martensite transformation and magnetic properties of Ni24-xMn17In7Cox (x ? 0e5) ferromagnetic shape memory alloy were systematically investigated by the first-principles calculations. Co atom prefers to occupy the Ni sublattice. Co doping increases equilibrium lattice constant of austenite and decreases phase stability of austenite, 6 M and NM martensites. When 0<x<2, the martensite transformation during cooling is PA/FA/6 M/NM; whilst x>2, the corre sponding martensite transformation is PA/FA/NM. The martensitic transformation from austenite tomartensite (6 M and NM) accompanies the ferromagnetic to ferrimagnetic transition in the Co content 0<x<2. However, the ferromagnetic state is popular in the whole martensitic transformation process for x>2. The origin of magnetic properties and magnetostructure transformation were discussed based on electronic density of states.
梁新增、白静、张孜昕、温经波、孙少东、刘奉鑫
冶金技术金属学、热处理物理学
Ni-Mn-In-Co相稳定性马氏体相变磁结构耦合电子态密度
Ferromagnetic shape memory alloyNi-Mn-In-CoFirst-principles calculationsMartentisitc transformationMagnetic property
梁新增,白静,张孜昕,温经波,孙少东,刘奉鑫.o掺杂对Ni50Mn35.4In14.6合金马氏体相变和磁性能的影响[EB/OL].(2019-10-08)[2025-08-02].http://www.paper.edu.cn/releasepaper/content/201910-16.点此复制
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