Abstract
Electronic structures and optical properties in the core-level spectra of strontium titanate are investigated by the first-principles under scissor approximation. The direct- and indirect-band gaps are equal to 2.24 and 1.87 eV, respectively. The complex dielectric function and optical constants, such as optical absorption coefficient, refractive index, extinction coefficient, energy-loss spectrum and reflectivity, are calculated, which are in good agreement with the experimental data, better than those from linear muffin-tin orbital method. We also have interpreted the origin of the spectral peaks on the basis of the electronic band structures.
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.
