Electronic structure of Si1−yCyand Si1−x−yGexCyalloys with low C concentrations

M. Ohfuti, Y. Sugiyama, Y. Awano, N. Yokoyama

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


Relaxed Si1−yCyand Si-lattice-matched Si1−x−yGexCyalloys with low C concentrations of 1.6% and 3.1% have been studied from first principles. The bottom of the conduction bands in relaxed Si1−yCylies on the line Δ, as it does in Si. The band gap is linearly dependent on the C concentration and the reduction is as little as −0.9y eV On the other hand, Si-lattice-matched Si1−x−yGexCyhas a direct gap and the band gap is reduced by−3.9y eV from that in relaxed Si1−x−yGexThe free energy of Si1−x−yGexCyshows that the atoms are arranged at random, however, this arrangement does not affect the result for the band gap in the alloy.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number19
Publication statusPublished - 2001 Apr 10
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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