Atomic scale etching of diamond: insights from molecular dynamics simulations

Draney, Jack S.; Vella, Joseph R.; Panagiotopoulos, Athanassios Z.; Graves, David B.

doi:10.1088/1361-6463/ad78e6

Title: Atomic scale etching of diamond: insights from molecular dynamics simulations

Journal Article · 15 October 2024 · Journal of Physics. D, Applied Physics

DOI: https://doi.org/10.1088/1361-6463/ad78e6 · OSTI ID:2475829

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Princeton Univ., NJ (United States)
Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)

Diamond is a promising material for multiple applications in quantum information processing and sensing as well as applications in microelectronics. However, diamond devices can be limited by surface defects that compromise charge stability and spin coherence, among others. Improved strategies in plasma etching of diamond could play an important role in minimizing or eliminating these defects. In this work, we explore plasma-assisted atomic scale etching of diamond using argon ions (Ar⁺), hydrogen ions (H⁺) and hydrogen atoms (H). We employ classical molecular dynamics (MD) simulations and test several interatomic potentials based on the Reactive Empirical Bond Order (REBO) form with comparisons to a variety of published experimental results. We performed MD simulations of low-energy hydrogen ($$\leqslant$$50 eV) and argon ( $$\leqslant$$200 eV) ion bombardment of diamond surfaces. Ar⁺ bombardment can be used to locally smooth initially rough diamond surfaces via the formation of an amorphous C layer, the thickness of which increases with argon ion energy. Subsequent exposure with hydrogen ions (or fast neutrals) will selectively etch this amorphous C layer, leaving the underlying diamond layer mostly intact if the H energy is maintained below about 10 eV. The simulations suggest that combining Ar⁺ smoothing with selective, near threshold energy H removal of amorphous C can be an effective strategy for diamond surface engineering, leading to more reliable and sensitive diamond color center devices.

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Research Organization:: Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Fusion Energy Sciences (FES)

Grant/Contract Number:: AC02-09CH11466; SC0024537

OSTI ID:: 2475829

Journal Information:: Journal of Physics. D, Applied Physics, Journal Name: Journal of Physics. D, Applied Physics Journal Issue: 2 Vol. 58; ISSN 0022-3727

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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