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 Citations (Scopus)

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

Fingerprint

Chemical vapor deposition
Carbon
vapor deposition
Local density approximation
Silicon
Crystal lattices
Electronic properties
Structural properties
Semiconductor materials
Molecules
carbon
silicon
approximation
electronics
molecules

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Louie, Steven G. ; Zhang, Peihong ; Crespi, Vincent Henry ; Cohen, Marvin L. ; Chang, Eric. / Theory of metastable group-IV alloys formed from CVD precursors. In: Physical Review B - Condensed Matter and Materials Physics. 2001 ; Vol. 64, No. 23.
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Theory of metastable group-IV alloys formed from CVD precursors. / Louie, Steven G.; Zhang, Peihong; Crespi, Vincent Henry; Cohen, Marvin L.; Chang, Eric.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 64, No. 23, 01.01.2001.

Research output: Contribution to journalArticle

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AU - Louie, Steven G.

AU - Zhang, Peihong

AU - Crespi, Vincent Henry

AU - Cohen, Marvin L.

AU - Chang, Eric

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