Abstract
Molecular dynamics results using an improved Tersoff-Brenner style interatomic potential for Si-F (denoted by TB-HG) are presented. In simulations of F/Ar+, F+, and SiF3+ etching of silicon, the TB-HG potential predicts different behaviour from that of Stillinger and Weber (SW). With the SW potential, F atoms do not mix into Si surfaces, creating instead a roughened surface with F on the outside. With the TB-HG potential, F atoms are able to mix into Si, leading to higher F uptake and Si etch rate in all cases. The TB-HG potential is compared to the modified SW potential of Weakliem et al (SW-WWC) in simulations of F+ etching of Si. The quantitative values of steady-state F uptake and Si etch rate for the (SW-WWC and TB-HG) potentials are nearly identical, but surface structure and etch product distributions are qualitatively different. Evidence of spurious energetic barriers in the SW potential form is given.
Original language | English (US) |
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Pages (from-to) | 548-552 |
Number of pages | 5 |
Journal | Plasma Sources Science and Technology |
Volume | 13 |
Issue number | 3 |
DOIs | |
State | Published - Aug 2004 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics