Lattice distortion tuning resistivity Invar effect in high-entropy alloys

被引:0
作者
Chen, Hao [1 ,2 ]
Xu, Yuanji [1 ,2 ]
Liu, Lihua [1 ,2 ]
Chen, Yue [3 ]
Wrobel, Jan [4 ]
Cong, Daoyong [5 ]
Tian, Fuyang [1 ,2 ,3 ]
Wang, Yang [6 ]
机构
[1] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China
[2] Univ Sci & Technol Beijing, Dept Phys, Beijing 100083, Peoples R China
[3] Univ Hong Kong, Dept Mech Engn, Pokfulam Rd, Hong Kong 999077, Peoples R China
[4] Warsaw Univ Technol, Fac Mat Sci & Engn, Woloska 141, PL-02507 Warsaw, Poland
[5] Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing, Peoples R China
[6] Carnegie Mellon Univ, Pittsburgh Supercomp Ctr, Pittsburgh, PA 15213 USA
基金
中国国家自然科学基金;
关键词
TOTAL-ENERGY CALCULATIONS; AB-INITIO; TRANSPORT-PROPERTIES; SEMICONDUCTORS; SIMULATION; METALS;
D O I
10.1103/PhysRevB.111.094209
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Materials with an ultra-low temperature coefficient of resistivity are desired for the temperature and flow sensors in high-precision electronic measuring systems. In this work, the Kubo-Greenwood formula, implemented in ab initio molecular dynamics simulations, is employed to predict the finite-temperature resistivity of multicomponent alloys with severe lattice distortion. We observe a tiny change in resistivity over a wide temperature range in high-entropy alloys. The electronic resistivity Invar effect in B2 Ni25Co25(HfTiZr)50 Elinvar alloys results from a balance between intrinsic and residual resistivity. This effect is associated with atomic displacements from ideal lattice sites, which are caused by lattice thermal vibrations and chemical disorder-induced lattice distortions. It is further evidenced by a decrease in lattice distortion with temperature and changes in the electronic density of states.
引用
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页数:8
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