Theory of hydrogen-related metastability in disordered silicon

Research output: Contribution to journalArticle

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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
StatePublished - Nov 19 2004

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metastable state
amorphous silicon
silicon
hydrogen
atoms

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

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title = "Theory of hydrogen-related metastability in disordered silicon",
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.",
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Theory of hydrogen-related metastability in disordered silicon. / Tuttle, Blair Richard.

In: Physical Review Letters, Vol. 93, No. 21, 215504, 19.11.2004.

Research output: Contribution to journalArticle

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N2 - 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.

AB - 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.

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