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Data and Code for Atomic Scale Etching of Diamond: Insights from Molecular Dynamics Simulations

Dataset ·
DOI:https://doi.org/10.34770/xb7d-6h47· OSTI ID:2589018

This work investigates the effects of argon ions, hydrogen atoms, and hydrogen ions on the diamond (100) surface using classical molecular dynamics simulations. The purpose of this investigation was to asses plasma processing techniques for applications in quantum device manufacturing. The simulations suggest that combining argon ion smoothing with selective, near threshold energy H removal of amorphous C could be an effective strategy for diamond surface engineering, leading to more reliable and sensitive diamond color center devices. Results were found to differ significantly with interatomic potential, and an analysis of these differences was also carried out. Included in this repository are LAMMPS source files, input scripts, and plotting scripts required to reproduce the data. Also included are the output data required to make all the plots included in the associated publication.

Research Organization:
Princeton Plasma Physics Laboratory
Sponsoring Organization:
United States Department of Energy
DOE Contract Number:
AC02-09CH11466
OSTI ID:
2589018
Country of Publication:
United States
Language:
English

Cited By (1)

Atomic scale etching of diamond: insights from molecular dynamics simulations journal October 2024

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