Molecular dynamics simulations of Cl{sup +} etching on a Si(100) surface

Journal Article · Tue Jun 15 04:00:00 EDT 2010 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3361038· OSTI ID:21476279

Gou, F; Neyts, E; Eckert, M; Tinck, S; Bogaerts, A ^[1]

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1. Department of Chemistry, Research Group PLASMANT, University of Antwerp, Universiteitsplein 1, B-2610 Wilrijk-Antwerp (Belgium)

Molecular dynamics simulations using improved Tersoff-Brenner potential parameters were performed to investigate Cl{sup +} etching of a {l_brace}2x1{r_brace} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiCl{sub x} species in the reaction layer is found to be SiCl:SiCl{sub 2}:SiCl{sub 3}=1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiCl{sub x}(0<x<4) etch products are produced by chemical-enhanced physical sputtering.

• OSTI ID: 21476279
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 11 Vol. 107; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CALCULATION METHODS
CHARGED PARTICLES
CHLORIDES
CHLORINE COMPOUNDS
CHLORINE IONS
CRYSTAL STRUCTURE
ELEMENTS
ENERGY RANGE
ETCHING
EV RANGE
HALIDES
HALOGEN COMPOUNDS
IONS
LAYERS
MATERIALS
MOLECULAR DYNAMICS METHOD
SEMICONDUCTOR MATERIALS
SEMIMETALS
SILICON
SILICON CHLORIDES
SILICON COMPOUNDS
SILICON HALIDES
SPUTTERING
STEADY-STATE CONDITIONS
STOICHIOMETRY
SURFACE FINISHING
SURFACES