Theory of hydrogen-related metastability in disordered silicon

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Abstract

The properties of hydrogen in crystalline silicon and in a realistic model of hydrogenated amorphous silicon were analyzed. It was found that the hydrogen can break isolated bulk silicon bonds to form two Si-H bonds with both hydrogens in between the original silicon atoms. The complex was found to had the appropriate energetics and H-H separation to be consistent with experiments regarding reversible metastability in a-Si:H. The results show that the complex provides a microscopic model for new metastable complexes observed in amorphous silicon.

Original languageEnglish (US)
Article number215504
JournalPhysical Review Letters
Volume93
Issue number21
DOIs
Publication statusPublished - Nov 19 2004

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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