Resistivity due to low-symmetrical defects in metals

TL;DR

This paper presents an ab initio calculation of impurity resistivity caused by low-symmetrical defects in metals, using multiple-scattering theory and Boltzmann equation solutions for FCC and BCC metals.

Contribution

It introduces a method to compute residual resistivity due to specific defect types in metals from first principles.

Findings

Resistivity due to impurity-vacancy pairs calculated for Al, Ag, and V.

Method combines multiple-scattering theory with iterative Boltzmann equation solutions.

Provides insights into the origin of 1/f noise related to defect motion.

Abstract

The impurity resistivity, also known as the residual resistivity, is calculated ab initio using multiple-scattering theory. The mean-free path is calculated by solving the Boltzmann equation iteratively. The resistivity due to low-symmetrical defects, such as an impurity-vacancy pair, is calculated for the FCC host metals Al and Ag and the BCC transition metal V. Commonly, 1/f noise is attributed to the motion of such defects in a diffusion process.