Theory of hydrogen interactions with amorphous silicon

Chris G.D.E. Van Walle, Blair Tuttle

Research output: Contribution to journalConference articlepeer-review

20 Scopus citations


We present an overview of recent results for hydrogen interactions with amorphous silicon (a-Si), based on first-principles calculations. We review the current understanding regarding molecular hydrogen, and show that H2 molecules are far less inert than previously assumed. We then discuss results for motion of hydrogen through the material, as relating to diffusion and defect formation. We present a microscopic mechanism for hydrogen-hydrogen exchange, and examine the metastable ≡ SiH2 complex formed during the exchange process. We also discuss the enhanced stability of Si-D compared to Si-H bonds, which may provide a means of suppressing light-induced defect generation.

Original languageEnglish (US)
Pages (from-to)275-286
Number of pages12
JournalMaterials Research Society Symposium - Proceedings
StatePublished - 1999
EventThe 1999 MRS Spring Meeting - Symposium A 'Amorphous and Heterogenous Silicon Thin Films: Fundamentals to Devices' - San Francisco, CA, USA
Duration: Apr 5 1999Apr 9 1999

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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