Unraveling the Phase Stability and Physical Property of Modulated Martensite in Ni2Mn1.5In0.5 Alloys by First-Principles Calculations

被引：1

作者：

Liang, Xin-Zeng ^{[1
]}

Bai, Jing ^{[1
,2
,3
]}

Guan, Zi-Qi ^{[1
]}

Zhang, Yu ^{[1
]}

Gu, Jiang-Long ^{[4
]}

Zhang, Yu-Dong ^{[5
]}

Esling, Claude ^{[5
]}

Zhao, Xiang ^{[1
]}

Zuo, Liang ^{[1
]}

机构：

[1] Northeastern Univ, Key Lab Anisotropy & Texture Mat, Shenyang 110819, Peoples R China

[2] Northeastern Univ Qinhuangdao, Sch Resources & Mat, Qinhuangdao 066004, Hebei, Peoples R China

[3] Hebei Prov Lab Dielect & Electrolyte Funct Mat, Qinhuangdao 066004, Hebei, Peoples R China

[4] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Hebei, Peoples R China

[5] Univ Lorraine, Lab Etud Microstruct & Mecan Mat, LEM3, CNRS,UMR 7239, F-57045 Metz, France

来源：

MATERIALS | 2022年 / 15卷 / 11期

基金：

中国国家自然科学基金;

关键词：

Ni-Mn-In; first-principles calculations; modulated martensite; Jahn-Teller effect; FIELD-INDUCED STRAINS; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; NI; TRANSFORMATION; TRANSITION;

D O I：

10.3390/ma15114032

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Large magnetic field-induced strains can be achieved in modulated martensite for Ni-Mn-In alloys; however, the metastability of the modulated martensite imposes serious constraints on the ability of these alloys to serve as promising sensor and actuator materials. The phase stability, magnetic properties, and electronic structure of the modulated martensite in the Ni2Mn1.5In0.5 alloy are systematically investigated. Results show that the 6M and 5M martensites are metastable and will eventually transform to the NM martensite with the lowest total energy in the Ni2Mn1.5In0.5 alloy. The physical properties of the incommensurate 7M modulated martensite (7M-IC) and nanotwinned 7M martensite (7M - (5 (2) over bar)(2)) are also calculated. The austenite (A) and 7M - (5 (2) over bar)(2) phases are ferromagnetic (FM), whereas the 5M, 6M, and NM martensites are ferrimagnetic (FIM), and the FM coexists with the FIM state in the 7M-IC martensite. The calculated electronic structure demonstrates that the splitting of Jahn-Teller effect and the strong Ni-Mn bonding interaction lead to the enhancement of structural stability.

引用

页数：10

共 57 条

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