Abstract
A pseudopotentiel formalism coupled with the virtual crystal approximation (VCA) is applied to study the influence of the composition on the AxB1−xC ternary band gap in zinc blende phase. Our theoretical results show that the band gaps are affected by the compositional disorder. We further predict that the bowing parameter of the II–VI, III–V and IV–IV alloys (i) has a close connection with the difference between the lattice constants Δa; (ii) does not vary linearly with the electronegativities difference ΔXAB as in the case of AIBIIC2VI chalcopyrite-structure alloys and (iii) does not scale both with ΔXAB and with the atomic sizes variation ΔRAB.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.