Energetics of hydrogen in amorphous silicon: An ab initio study

Blair Tuttle, James Adams

Research output: Contribution to journalArticle

52 Scopus citations

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 (Formula presented)-Si to one in (Formula presented)-Si. In addition, we identify the energetics of the dominant traps for H in (Formula presented)-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
DOIs
StatePublished - Jan 1 1998

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Energetics of hydrogen in amorphous silicon: An ab initio study'. Together they form a unique fingerprint.

  • Cite this