Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
Top Cited Papers
Open Access
- 4 January 2019
- journal article
- research article
- Published by Springer Science and Business Media LLC in npj Computational Materials
- Vol. 5 (1), 1
- https://doi.org/10.1038/s41524-018-0138-z
Abstract
Whilst it has long been known that disorder profoundly affects transport properties, recent measurements on a series of solid solution 3d-transition metal alloys reveal two orders of magnitude variations in the residual resistivity. Using ab initio methods, we demonstrate that, while the carrier density of all alloys is as high as in normal metals, the electron mean-free-path can vary from ~10 Å (strong scattering limit) to ~103 Å (weak scattering limit). Here, we delineate the underlying electron scattering mechanisms responsible for this disparate behavior. While site-diagonal, spin dependent, potential scattering is always dominant, for alloys containing only Fe, Co, and Ni the majority-spin channel experiences negligible disorder scattering, thereby providing a short circuit, while for Cr/Mn containing alloys both spin channels experience strong disorder scattering due to an electron filling effect. Somewhat surprisingly, other scattering mechanisms—including displacement, or size effect, scattering which has been shown to strongly correlate with such diverse properties as yield strength—are found to be relatively weak in most cases.Keywords
Funding Information
- U.S. Department of Energy (DE-AC05-00OR22725)
This publication has 65 references indexed in Scilit:
- First-principles analysis of spin-disorder resistivity of Fe and NiPhysical Review B, 2009
- Antiferromagnetic spin fluctuations and proximity to a quantum critical point inSr2RuO4Physical Review B, 2005
- Local atomic order and individual pair displacements of and from diffuse x-ray scattering studiesPhysical Review B, 1996
- Projector augmented-wave methodPhysical Review B, 1994
- Special quasirandom structuresPhysical Review Letters, 1990
- Effects of short-range order on electronic properties of Zr-Ni glasses as seen from low-temperature specific heatPhysical Review B, 1984
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981
- Theory of the frustration effect. II. Ising spins on a square latticeJournal of Physics C: Solid State Physics, 1977
- Über WiderstandslegierungenThe European Physical Journal A, 1951
- On the calculation of the energy of a Bloch wave in a metalPhysica, 1947