TY - JOUR
T1 - Electronic structure of Si1−yCyand Si1−x−yGexCyalloys with low C concentrations
AU - Ohfuti, M.
AU - Sugiyama, Y.
AU - Awano, Y.
AU - Yokoyama, N.
PY - 2001/4/10
Y1 - 2001/4/10
N2 - 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.
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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U2 - 10.1103/PhysRevB.63.195202
DO - 10.1103/PhysRevB.63.195202
M3 - Article
AN - SCOPUS:0034895407
SN - 1098-0121
VL - 63
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 19
ER -