First-principles calculations of Ni–(Co)–Mn–Cu–Ti all-d-metal Heusler alloy on martensitic transformation,mechanical and magnetic properties

作     者：Huaxin Qi Jing Bai Miao Jin Jiaxin Xu Xin Liu Ziqi Guan Jianglong Gu Daoyong Cong Xiang Zhao Liang Zuo Huaxin Qi;Jing Bai;Miao Jin;Jiaxin Xu;Xin Liu;Ziqi Guan;Jianglong Gu;Daoyong Cong;Xiang Zhao;Liang Zuo

作者机构：Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education)School of Material Science and EngineeringNortheastern UniversityShenyang 110819China Key Laboratory of Dielectric and Electrolyte Functional Material Hebei ProvinceSchool of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004China State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao 066004China Beijing Advanced Innovation Center for Materials Genome EngineeringState Key Laboratory for Advanced Metals and MaterialsUniversity of Science and Technology BeijingBeijing 100083China 

出 版 物：《International Journal of Minerals,Metallurgy and Materials》 (矿物冶金与材料学报（英文版）)

年 卷 期：2023年第30卷第5期

页      面：930-938页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：financially supported by the National Natural Science Foundation of China(No.51771044) the Natural Science Foundation of Hebei Province(No.E2019501061) the Performance subsidy fund for Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province(No.22567627H) the Fundamental Research Funds for the Central Universities(No.N2223025) the State Key Lab of Advanced Metals and Materials(No.2022-Z02) Programme of Introducing Talents of Discipline Innovation to Universities 2.0(the 111 Project of China 2.0,No.BP0719037) 

主　　题：Ni–Mn–Ti-based all-d-metal Heusler alloys first-principles calculations mechanical properties martensitic transformation magnetic properties 

摘      要：The martensitic transformation,mechanical,and magnetic properties of the Ni_(2)Mn_(1.5-x)Cu_(x)Ti_(0.5) (x=0.125,0.25,0.375,0.5) and Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5)[(x=0.125,y=0.125,0.25,0.375,0.5) and (x=0.125,0.25,0.375,y=0.625)]alloys were systematically studied by the first-principles *** the formation energy,the martensite is smaller than the austenite,the Ni–(Co)–Mn–Cu–Ti alloys studied in this work can undergo martensitic *** austenite and non-modulated (NM) martensite always present antiferromagnetic state in the Ni_(2)Mn_(1.5-x)Cu_(x)Ti_(0.5) and Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5) (y0.625) *** y=0.625 in the Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5) series,the austenite presents ferromagnetic state while the NM martensite shows antiferromagnetic *** doping can decrease the thermal hysteresis and anisotropy of the Ni–(Co)–Mn–Ti *** Mn and decreasing Ti content can improve the shear resistance and normal stress resistance,but reduce the toughness in the Ni–Mn–Cu–Ti *** the ductility of the Co–Cu co-doping alloy is inferior to that of the Ni–Mn–Cu–Ti and Ni–Co–Mn–Ti *** electronic density of states was studied to reveal the essence of the mechanical and magnetic properties.