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

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

doi:10.1103/PhysRevB.63.195202

Electronic structure of Si_1−yC_yand Si_1−x−yGe_xC_yalloys with low C concentrations

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

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

Relaxed Si_1−yC_yand Si-lattice-matched Si_1−x−yGe_xC_yalloys with low C concentrations of 1.6% and 3.1% have been studied from first principles. The bottom of the conduction bands in relaxed Si_1−yC_ylies 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 Si_1−x−yGe_xC_yhas a direct gap and the band gap is reduced by−3.9y eV from that in relaxed Si_1−x−yGe_xThe free energy of Si_1−x−yGe_xC_yshows that the atoms are arranged at random, however, this arrangement does not affect the result for the band gap in the alloy.

Original language	English
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	63
Issue number	19
DOIs	https://doi.org/10.1103/PhysRevB.63.195202
Publication status	Published - 2001 Apr 10
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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title = "Electronic structure of Si1−yCyand Si1−x−yGexCyalloys with low C concentrations",

abstract = "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.",

author = "M. Ohfuti and Y. Sugiyama and Y. Awano and N. Yokoyama",

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AU - Ohfuti, M.

AU - Sugiyama, Y.

AU - Awano, Y.

AU - Yokoyama, N.

PY - 2001/4/10

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AB - 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.

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Electronic structure of Si_1−yC_yand Si_1−x−yGe_xC_yalloys with low C concentrations

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