Cu self-sputtering MD simulations for 0.1-5 keV ions at elevated temperatures

TL;DR

This study uses molecular dynamics simulations to analyze how surface temperature, morphology, and ion incidence affect copper self-sputtering yields at energies between 0.1 and 5 keV.

Contribution

It provides detailed insights into copper self-sputtering behavior considering temperature, surface orientation, roughness, and ion incidence, which was not comprehensively studied before.

Findings

Higher temperatures increase sputtering yield.

Surface roughness and incidence angle significantly affect yield.

Crystallographic orientation influences sputtering behavior.

Abstract

Self-sputtering of copper under high electric fields is considered to contribute to plasma buildup during a vacuum breakdown event frequently observed near metal surfaces, even in ultra high vacuum condition in different electric devices. In this study, by means of molecular dynamics simulations, we analyze the effect of surface temperature and morphology on the yield of self-sputtering of copper with ion energies of 0.1-5 keV. We analyze all three low-index surfaces of Cu, {100}, {110} and {111}, held at different temperatures, 300 K, 500 K and 1200 K. The surface roughness relief is studied by either varying the angle of incidence on flat surfaces, or by using arbitrary roughened surfaces, which result in a more natural distribution of surface relief variations. Our simulations provide detailed characterization of copper self-sputtering with respect to different material temperatures, crystallographic orientations, surface roughness, energies, and angles of ion incidence.