Structure, dissociation, and the vibrational signatures of hydrogen clusters in amorphous silicon

Blair Tuttle, James Adams

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

We use quantum molecular dynamics to study the structure, dissociation, and vibrational signatures of hydrogen clusters in amorphous silicon. Four structural models of hydrogenated amorphous silicon and two bulk c-Si:H structures are used for our study. We compare the properties of hydrogen clusters found in the structural models with other theoretical models and experimental measurements. By examining the energetics of H in these models, we gain insight into the trapping levels for H in a-Si:H films. In addition, we examine the geometric and vibrational properties of the hydrogen clusters as they dissociate. Our simulations are used to interpret the results of recent experiments including a low-temperature infrared study of hydrogenated amorphous silicon during light soaking.

Original languageEnglish (US)
Pages (from-to)4565-4572
Number of pages8
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume56
Issue number8
StatePublished - Aug 15 1997

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Amorphous silicon
amorphous silicon
Hydrogen
signatures
dissociation
hydrogen
soaking
Molecular dynamics
trapping
molecular dynamics
Infrared radiation
simulation
Experiments
Temperature

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Structure, dissociation, and the vibrational signatures of hydrogen clusters in amorphous silicon. / Tuttle, Blair; Adams, James.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 56, No. 8, 15.08.1997, p. 4565-4572.

Research output: Contribution to journalArticle

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