Abstract
First-principles calculations have been performed to determine the effects of Sr doping on the structural, electronic, and optical properties of ZnONT. The dielectric tensor is derived within the random phase approximation (RPA), and optical properties are calculated for both parallel and perpendicular electric field polarizations to the nanotube axis. It is found that all doped systems are exothermic and stable, but by increasing Sr-doping concentration the formation energy increased. The semiconducting energy gap of Sr-doped single walled ZnONT is bigger than their pristine ZnONT. From the optical property calculations, strong absorptions have been found in the visible-light region for both pristine ZnONT and Sr-doped ZnONT. By increasing concentration of Sr-doped the main absorption edge has a further blue shift to that of pure ZnONT.
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.
