Chemical removal and physical damage in the dry etching process of diamond: A case study of Ar and F etching through reactive molecular dynamics simulations

Abstract

Advancing diamond semiconductor applications requires a comprehensive understanding of the physical and chemical effects of the dry etching process. However, these effects remain elusive at the atomic level due to the complex interactions that occur during the etching process. By investigating the etching behaviors of Ar and F atoms on diamond slabs, this study aims to clarify the complex interplay of physical and chemical effects during the diamond etching process. Due to its extreme inertness, Ar atoms only interact physically with diamond slab. The bombardment of Ar atoms below 75 eV resulted solely in amorphization damage of the diamond surface, whereas bombardment above 75 eV induced both amorphization and sputtering. The F atoms with low incident energy mainly reacted with the surficial C atoms, causing chemical removal in the form of gaseous products. However, amorphization damage also appeared as the incident energy increased above 50 eV, suggesting that physical interaction also plays a key role in F etching at high energies. This study provides a detailed explanation of the physical and chemical effects of the diamond etching and provides invaluable guidance on the application of Ar and F etching.