Abstract
The crystal structure and phonon spectrum of a Eu2Sn2O7 crystal is studied within the MO–LCAO approach using the hybrid DFT functional, which takes into account the contribution from nonlocal exchange to the Hartree–Fock formalism. Frequencies, types, and intensities of fundamental vibrations, which are active in IR and Raman scattering spectra, are determined. Elastic constants are calculated. The calculations are performed using the CRYSTAL17 program, designed to simulate periodic structures within the MO–LCAO approach.
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.
