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.
| Original language | English |
|---|---|
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 63 |
| Issue number | 19 |
| DOIs | |
| Publication status | Published - 2001 Apr 10 |
| Externally published | Yes |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
Fingerprint Dive into the research topics of 'Electronic structure of Si<sub>1−y</sub>C<sub>y</sub>and Si<sub>1−x−y</sub>Ge<sub>x</sub>C<sub>y</sub>alloys with low C concentrations'. Together they form a unique fingerprint.
Cite this
Ohfuti, M., Sugiyama, Y., Awano, Y., & Yokoyama, N. (2001). Electronic structure of Si1−yCyand Si1−x−yGexCyalloys with low C concentrations. Physical Review B - Condensed Matter and Materials Physics, 63(19). https://doi.org/10.1103/PhysRevB.63.195202