Electronic structure of Si1-yCy and Si1-x-yGexCy alloys with low C concentrations

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

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Relaxed Si1-yCy and Si-lattice-matched Si1-x-yGexCy alloys 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-yCy lies 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-yGexCy has a direct gap and the band gap is reduced by -3.9y eV from that in relaxed Si1-xGex. The free energy of Si1-x-yGexCy shows that the atoms are arranged at random, however, this arrangement does not affect the result for the band gap in the alloy.

Original languageEnglish
Article number195202
Pages (from-to)1952021-1952025
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume63
Issue number19
Publication statusPublished - 2001
Externally publishedYes

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Electronic structure
Energy gap
electronic structure
Conduction bands
Free energy
Atoms
conduction bands
free energy
atoms

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Electronic structure of Si1-yCy and Si1-x-yGexCy alloys with low C concentrations. / Ohfuti, M.; Sugiyama, Y.; Awano, Yuji; Yokoyama, N.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 63, No. 19, 195202, 2001, p. 1952021-1952025.

Research output: Contribution to journalArticle

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