Abstract
Bismuth telluride (Bi2Te3) attracts much attention as a topological insulator. Using the first-principles density-functionalcalculations based on generalized gradient approximation, the structural and electronic properties of Bi2Te3 have been donewith and without spin-orbit coupling (SOC). Total energy calculations showed that the optimized lattice parameters are a= b=4.44 Å and c= 32.20 Å, in consistent with an experiment. Bi2Te3 is calculated to be an insulating with band gap of 0.5 eVfrom the density of states without SOC. Finally, we found that the effect of SOC is a crucial to determine the experimentally observed very narrow band gap of 0.15 eV.
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.
