Abstract
We have applied a virtual crystal approximation to the linear combination of atomic orbitals method to calculate critical point energies of unstrained Si1−x−yGexCy alloys spanning the composition parameter space. Additionally, we have calculated the band structure across the Brillouin zone for a series of alloy compositions. We found the band energies had significant bowing departures from linearity throughout the system. In some cases, the energy band gap was not monotonically dependent on composition. Our theoretical results are compared with recent experimental results, and good agreement was found overall.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
