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.
|Number of pages||4|
|Journal||Physica B: Condensed Matter|
|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