Size effects and conductivity of ultrathin Cu films

TL;DR

This paper introduces a comprehensive model for predicting the electrical transport properties of ultrathin copper films across various thicknesses, combining ab initio calculations with Boltzmann transport theory.

Contribution

It develops a microscopic, ab initio-based model that accurately describes the thickness-dependent conductivity and plasma frequency of ultrathin copper films.

Findings

The model accurately predicts conductivity across 1-32 monolayers.

It captures the correct thickness dependence for both thin and thick films.

The approach combines density functional theory with Boltzmann transport equations.

Abstract

We propose a model for the description of the transport properties of metallic films on a large scale of slab thickness. This model is based on solving the linearized Boltzmann equation in relaxation-time approximation using {\it ab initio} calculations within the framework of the density functional theory. The expression for the relaxation time is derived from the microscopic treatment of the scattering processes and provides the correct thickness dependence for very thin as well as very thick films. The method is applied to the calculation of the in-plane conductivity and the Drude-type plasma frequency of thin Cu(001) films in the thickness range between 1 and 32 monolayers.