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.

Highlights

  • Electrical resistivity is one of the most fundamental properties of materials

  • All electron scattering results from the disorder-induced site-to-site potential fluctuations

  • The single-site picture is further modified by including the effects of displacement scattering caused by relaxation of the atoms away from their ideal lattice sites due to the fact that every atom is surrounded by a different configuration of other atoms

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Summary

Introduction

Electrical resistivity is one of the most fundamental properties of materials. At the coarsest level, it distinguishes between metals, semi-conductors and insulators. Using the conventional spin-polarized KKR-CPA method, we explore the effect of site-diagonal disorder, i.e., [δσ, ΔExch], on the electronic structure and ρ0 in Cantor-Wu alloys.

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