Copper-related defects in Si are studied at the ab initio Hartree-Fock level in clusters containing up to 100 Si atoms. The defects studied are interstitial and substitutional copper, as well as one through five Cu's trapped at an internal void modeled by the ring-hexavacancy. Configurations, electronic structures, and binding energies are calculated. The origin of the electrical activity of copper precipitates and trends are discussed.
|Number of pages||5|
|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