Abstract
We investigate the electronic and optical properties of free-standing and epitaxially strained ${\mathrm{Si}}_{1\ensuremath{-}y}{\mathrm{C}}_{y}$ alloys. We first determine the microscopic atomic structure of the alloys using the semi-grand-canonical Monte Carlo method and empirical interatomic potentials. For the calculation of the electronic and optical properties of the alloys we employ a supercell geometry and an empirical tight-binding model, which was fitted to reproduce the relevant band structures obtained from first-principles calculations. Our approach allows for a thorough investigation of C alloying and strain effects on the band gap, the band offsets, the effective masses of the upper valence and lowest conduction bands, and the optical properties. Our results are in very good agreement with experiment.
Sign-in/Register to access full text options 
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.
