Abstract
The interactions between hydrogen and intrinsic defects in silicon are studied using ab initio molecular dynamics simulations in periodic supercells and Hartree-Fock in saturated clusters. The two issues discussed here are the complexes involving one neutral self-interstitial with one to four H's and the trapping of a single H at various vacancy aggregates. The binding energies, structures, and properties of these defects are calculated.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 216-219 |
| Number of pages | 4 |
| Journal | Physica B: Condensed Matter |
| Volume | 273-274 |
| DOIs | |
| State | Published - Dec 15 1999 |
| Event | Proceedings of the 1999 20th International Conference on Defects in Semiconductors (ICDS-20) - Berkeley, CA, USA Duration: Jul 26 1999 → Jul 30 1999 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Electrical and Electronic Engineering
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Hastings, J. L., Gharaibeh, M., Estreicher, S. K., & Fedders, P. A. (1999). Hydrogen interactions with intrinsic defects in silicon. Physica B: Condensed Matter, 273-274, 216-219. https://doi.org/10.1016/S0921-4526(99)00456-1