Temperature dependence of precursor-surface interactions in plasma deposition of silicon thin films

Tamas Bakos, Mayur Valipa, Eray S. Aydil, Dimitrios Maroudas

Research output: Contribution to journalArticle

Abstract

Using first-principles density functional theory calculations of chemical reactions between the dominant precursor (the SiH3 radical) for plasma deposition of hydrogenated amorphous silicon (a-Si:H) thin films and different hydrogen-terminated crystalline silicon surfaces, we show that SiH3 insertion into strained Si-Si bonds is barrierless. This reaction, together with barrierless hydrogen abstraction and chemisorption reactions, account for the temperature-independent reaction probability of the SiH3 radical with a-Si:H surfaces. In addition, molecular-dynamics simulations of a-Si:H thin-film growth confirm that the same reactions take place on the amorphous surface and the probability for Si incorporation into the a-Si:H film is independent of temperature.

Original languageEnglish (US)
Pages (from-to)61-65
Number of pages5
JournalChemical Physics Letters
Volume414
Issue number1-3
DOIs
StatePublished - Oct 3 2005

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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