The electronic structures of strained Si 1-x-.Ge. C. (y<0.09) alloys on Si(001) have been studiedby the ab initio pseudopotential method within the local density functionaI theory. The variationsof the minim um ban...The electronic structures of strained Si 1-x-.Ge. C. (y<0.09) alloys on Si(001) have been studiedby the ab initio pseudopotential method within the local density functionaI theory. The variationsof the minim um band gap. the valence-band offset and the strain properties in the heterojunctioninterface are calculated together with the average bond energy theory. It is found that thedependences of the minimum band gap and the valence-band offset on the alloy compositionchange around the point of zero lattice mismatch. A comparison between our theoreticaf results and the available experimental data indicates that some of the contradictions from differentresearch groups can be reasonably explained.展开更多
文摘The electronic structures of strained Si 1-x-.Ge. C. (y<0.09) alloys on Si(001) have been studiedby the ab initio pseudopotential method within the local density functionaI theory. The variationsof the minim um band gap. the valence-band offset and the strain properties in the heterojunctioninterface are calculated together with the average bond energy theory. It is found that thedependences of the minimum band gap and the valence-band offset on the alloy compositionchange around the point of zero lattice mismatch. A comparison between our theoreticaf results and the available experimental data indicates that some of the contradictions from differentresearch groups can be reasonably explained.
