# Non-equilibrium phonon transport in surface-roughness dominated nanowires

## TL;DR

This paper investigates how surface roughness in silicon nanowires affects phonon-mediated thermal transport, using non-equilibrium Green's functions to analyze the impact of disorder on thermal current across temperature ranges.

## Contribution

It introduces a model linking surface roughness to phonon scattering and evaluates thermal current beyond linear response, explaining experimental differences in rough vs smooth nanowires.

## Key findings

- Surface roughness reduces thermal current at high temperatures.
- Disorder parameter correlates with experimental surface effects.
- Frequency dependence of thermal current is significantly altered by roughness.

## Abstract

Experimental observation of highly reduced thermal conductivity in surface-roughness dominated silicon nanowires have generated renewed interest in low-dimensional thermoelectric devices. Using a previous work where the scattering of phonons from a rough surface is mapped to scattering from randomly situated localized phonons in the bulk of a smooth nanowire, we consider the thermal current across a nanowire for various strengths of surface disorder. We use non-equilibrium Green's function techniques that allow us to evaluate the thermal current beyond the linear response regime, for arbitrary cold and hot temperatures of the two semi-infinite connecting leads. We show how the surface-roughness affects the frequency dependence of the thermal current, eventually leading to a temperature dependent reduction of the net current at high temperatures. We use a universal disorder parameter to describe the surface-roughness as has been proposed, and show that the dependence of the net current on this parameter provides a natural explanation for the experimentally observed differences between smooth vs rough surfaces. We argue that a systematic study of the thermal current for different values of the temperature difference between the two sides of a surface-roughness dominated nanowire for various strengths of disorder would help in our understanding of how best to optimize the thermoelectric efficiency.