Abstract
State-of-the-art calculations of electronic band structures, density of states and frequency-dependent optical properties have been reported for Srn+1TinO3n+1 (n=1, 2, 3, ∞) compounds. These materials possess indirect wide energy band gaps. The frequency dependent optical properties of n=1,2,3 compounds show considerable anisotropy and positive birefringence. The conduction band minimum is originates from Ti-d states, while the valence band maximum is governed by O-p states. The bandwidth of the Ti-d states is responsible for the decrease in the energy band gap as n changes from 1 to 2, 3, and ∞. We have analyzed the degree of hybridization on the basis of the ratio of the orbital overlapping within the muffin tin sphere.
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.
