Energetics of hydrogen in amorphous silicon: An ab initio study

Blair Tuttle, James Adams

Research output: Contribution to journalArticle

52 Citations (Scopus)

Abstract

Using ab initio density-functional calculations, we investigate the energetics of hydrogen in amorphous silicon. We compare a hydrogen atom at a silicon bond center site in a-Si to one in c-Si. In addition, we identify the energetics of the dominant traps for H in a-Si. The present calculations are used to elucidate many experiments and concepts regarding hydrogen in amorphous silicon including the role of H in equilibrium electronic defect formation.

Original languageEnglish (US)
Pages (from-to)12859-12868
Number of pages10
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number20
StatePublished - May 15 1998

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Amorphous silicon
amorphous silicon
Hydrogen
hydrogen
hydrogen atoms
traps
Silicon
Density functional theory
defects
silicon
electronics
Atoms
Defects
Experiments

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Energetics of hydrogen in amorphous silicon : An ab initio study. / Tuttle, Blair; Adams, James.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 57, No. 20, 15.05.1998, p. 12859-12868.

Research output: Contribution to journalArticle

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