Hydrogen interactions with intrinsic defects in silicon

J. L. Hastings, M. Gharaibeh, Stefan K. Estreicher, P. A. Fedders

Research output: Contribution to journalArticle

6 Scopus citations


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 languageEnglish (US)
Pages (from-to)216-219
Number of pages4
JournalPhysica B: Condensed Matter
Publication statusPublished - Dec 15 1999


ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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