首页|Unraveling magnetic properties and martensitic transformation in Mn-rich Ni-Mn-Sn alloys:first-principles calculations and experiments

Unraveling magnetic properties and martensitic transformation in Mn-rich Ni-Mn-Sn alloys:first-principles calculations and experiments

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We have investigated the phase stability,mag-netic properties,and martensitic transformation thermo-dynamics/kinetics of the Ni24-xMn18+x+ySn6-y(x,y=0,1,2)system by combining the first-principles calculations and experiments.The calculation results show that the optimized lattice parameters are consistent with the experimental data.Respectively,we obtain the relation equation for the austenite formation energy(Eform-A)and Mn content(XMn):Eform-A=507.358XMn-274.126,as well as for the six-layer modulated(6M)martensite for-mation energy(Eform-6M)and Ni content(XNi):Eform-6M=-728.484XNi+264.374.The ternary phase diagram of the total magnetic moment was established.The excess Mn will reduce the total magnetic moment of 6M(Mag6M)and non-modulated(NM)(MagNM)martensites,with the following equations relating the total magnetic moment and Mn content:Mag6M=-15.905XMn+7.902 and MagNM=-14.781XMn+7.411,while the effect on austenite is complex.The variation of total magnetic moment is mainly dominated by the Mn atomic magnetic moment.The 3d electrons of MnSn(Mn at Sn sublattice)play an important role in magnetic properties from the perspective of the electronic density of states.Based on the thermodynamics of martensitic transformation,the alloys will likely undergo austenite(←→)6M(←→)NM transforma-tion sequence.Combining the thermodynamic and kinetic results,the martensitic transformation temperature decreases with x increasing and increases with y increasing.These results are expected to provide reference for pre-dicting the phase stability and magnetic properties of Ni-Mn-Sn alloys.

Ni-Mn-SnFirst-principles calculationsMartensitic transformationMagnetic propertyKinetics

Yu Zhang、Jing Bai、Ke-Liang Guo、Jia-Xin Xu、Jiang-Long Gu、Nicola Morley、Qui-Zhi Gao、Yu-Dong Zhang、Claude Esling、Xiang Zhao、Liang Zuo

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Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education),School of Material Science and Engineering,Northeastern University,Shenyang 110819,China

Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province,School of Resources and Materials,Northeastern University at Qinhuangdao,Qinhuangdao 066004,China

Department of Material Science and Engineering,University of Sheffield,Sheffield S1 3JD,UK

State Key Laboratory of Metastable Materials Science and Technology,Yanshan University,Qinhuangdao 066004,China

Laboratoire d'Étude des Microstructures Et de Mécanique des Matériaux,University of Lorraine,57045 Metz,France

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National Natural Science Foundation of ChinaNatural Science Foundation of Hebei ProvincePerformance Subsidy Fund for Key Laboratory of Dielectric and Electrolyte Functional Material HebeiFundamental Research Funds for the Central Universities2023 Hebei Provincial doctoral candidate Innovation Ability training funding projectProgramme of Introducing Talents of Discipline Innovation to Universities 2.0Shanxi Supercomputing Center of ChinaChina Scholarship Council(CSC)

51771044E201950106122567627HN2223025CXZZBS2023165BP0719037

2024

10.1007/s12598-023-02538-z

稀有金属(英文版)
中国有色金属学会

稀有金属(英文版)

CSTPCDEI
影响因子：0.801
ISSN：1001-0521
年,卷(期)：2024.43(4)
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