Abstract
The dispute over Ta2O5 atomic structure was recently resolved by the discovery of the λ -phase model (space group Pbam), but due to the widely scattered experimental band gaps, the energy band gap of Ta2O5 still remains questionable. This letter presents a complete first principle calculation of the λ phase Ta2O5 energy band gap and looks at how different conditions of strain can modify it. From the results, we conclude that the theoretical band gap of λ phase Ta2O5 is about 3.7 eV and show that the band gap difference of about 0.45 eV can be made by only 3% compressive or tensile strain.
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.
