A lattice dynamical investigation of the Raman and infrared wavenumbers of Ba2MgTeO6 double-perovskite oxide

The Raman and infrared phonons in the tetragonal structure of double-perovskite Ba2MgTeO6 with space group I4/m have been studied using a short-range force constant model. This study used six stretching and two bending force constants to calculate zone centre phonons theoretically using the normal coordinate analysis. Some optical vibrational modes have been reported for the first time for Ba2MgTeO6 compounds in the I4/m phase using Wilson’s GF-Matrix method. The rest of the phonon modes calculated in this work have been compared with the available experimentally observed frequencies in the literature. The significance of interatomic force constant in the calculated Raman and infrared phonons has also been investigated in the potential energy distributions for the double-perovskite compound Ba2MgTeO6.