Theory of metastable group-IV alloys formed from CVD precursors

Steven G. Louie, Peihong Zhang, Vincent Henry Crespi, Marvin L. Cohen, Eric Chang

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

Using chemical-vapor deposition (CVD) precursors, group-IV compounds such as (formula presented) and (formula presented) which incorporate 20 at. % carbon, have been synthesized. Here we present systematic ab initio studies of the electronic and structural properties of group-IV compounds formed from CVD precursors. We also propose a class of precursor molecules for materials containing 25 at. % carbon. These compounds are energetically comparable to already synthesized materials (e.g., (formula presented) and are semimetallic within the local-density approximation. In addition, we give information for two previously proposed group-IV compounds, (formula presented) and (formula presented) which are direct-gap semiconductors and match the lattice of silicon to within 1%.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume64
Issue number23
DOIs
StatePublished - Jan 1 2001

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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