English

Lattice distortion tuning resistivity invar effect in high entropy alloys

Materials Science 2025-03-26 v2 Computational Physics

Abstract

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 multi-component 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 Ni25_{25}Co25_{25}(HfTiZr)50_{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.

Keywords

Cite

@article{arxiv.2502.14542,
  title  = {Lattice distortion tuning resistivity invar effect in high entropy alloys},
  author = {Hao Chen and Yuanji Xu and Lihua Liu and Yue Chen and Jan Wróbel and Daoyong Cong and Fuyang Tian and Yang Wang},
  journal= {arXiv preprint arXiv:2502.14542},
  year   = {2025}
}