Calculation of resistance for weak scattering, strong scattering and insulating quasi-one dimensional systems

TL;DR

This paper presents a parameter-free method to calculate resistivity in quasi-one-dimensional systems, applicable to liquid metals and insulators, with results aligning well with theoretical models and extending to insulating materials.

Contribution

It introduces a length-dependent resistance calculation method applicable to weak, strong, and insulating systems, including large structures with up to 10,000 atoms.

Findings

Calculated conductance fluctuations agree with theoretical predictions.

Resistivities match results from Kubo-Greenwood and Ziman formulas.

Method successfully applied to crystalline and amorphous silicon.

Abstract

A parameter free calculation of the resistivity is applied to liquid metals near the melting point ranging from weak to strong scattering limit. The method is based on length dependent resistance calculations for quasi-one dimensional systems and was applied on structures with up to 10000 atoms. The calculated value for conductance fluctuations is in good agreement with theoretical predictions. The resistivities are compared with the Kubo-Greenwood and the extended Ziman formula with the same scattering potential and similar structure. The resistance calculation is applicable for insulating materials as well, which is demonstrated for crystalline and amorphous silicon.