Phonon Spectrum of Eu₂Sn₂O₇: Ab Initio Calculation

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.