Reactive ion etching of Si by Cl and Cl{sub 2} ions: Molecular dynamics simulations with comparisons to experiment

Journal Article · Thu Jul 01 04:00:00 EDT 1999 · Journal of Vacuum Science and Technology, A

DOI:https://doi.org/10.1116/1.581844· OSTI ID:359790

Hanson, D E; Kress, J D; Voter, A F ^[1]

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1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

We present results of molecular dynamics simulations of reactive ion etching (RIE) of a reconstructed Si(100)(2{times}1) surface. The existing Stillinger{endash}Weber interatomic potential for Si/Cl of Feil {ital et al.} has been modified by correcting the Si{endash}Si bond strength for a SiCl{sub n} moiety bound to a Si surface and the Si{endash}Cl bond strength in SiCl{sub m} molecules. This potential has been used to study RIE of Si by Cl and Cl{sub 2} ions. The calculated properties such as the Si yield, product stoichiometry, stoichiometry of the chlorosilyl surface, and Cl content of the chlorosilyl layer are in reasonable agreement with experiment. The dissociative chemisorption probability of Cl{sub 2} on Si(100)(2{times}1) as a function of energy has been simulated and the results are in reasonable agreement with experiment. {copyright} {ital 1999 American Vacuum Society.}

• OSTI ID: 359790
• Report Number(s): CONF-981126--
• Journal Information: Journal of Vacuum Science and Technology, A, Journal Name: Journal of Vacuum Science and Technology, A Journal Issue: 4 Vol. 17; ISSN 0734-2101; ISSN JVTAD6
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
CHEMICAL BONDS
CHEMISORPTION
CHLORINE
DISSOCIATION
ETCHING
INTERATOMIC FORCES
MOLECULAR DYNAMICS METHOD
SILICON
SIMULATION
STOICHIOMETRY
SURFACE TREATMENTS