Abstract
Recently synthesized SiGeSn ternary alloys offer the possibility of varying their composition and thus their optical behavior while maintaining the lattice parameter at a constant value. In this paper we use theoretical calculations to show that the bandgap of Ge1-X(Si0.8Sn0.2)X derivatives can be varied from 0.8 to 1.1 eV (X =0 - 0.5) at a fixed lattice constant identical to Ge. We also show that Sn clustering in the diamond cubic structure can alter both the magnitude and character (direct/indirect) of the bandgap in these systems, particularly at high Sn concentrations. First principles thermochemistry simulations were finally used to calculate the Gibbs free energy and demonstrate that the mixing entropy is responsible for the stabilization of the ternary alloys with respect to GeSn binaries of the same Sn content consistent with experimental observations.
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.
