Multiphonon Anharmonicity In Mgo An Ionic Binary Compound

The anharmonic lattice dynamics of MgO has been studied at ambient conditions and at high temperatures by infrared spectroscopy combined with density functional perturbation theory calculations. The agreement between the measured phonon energies and widths with ab-initio calculated values provides a direct and pertinent test of the validity of advanced theoretical methods. Long observed anharmonic features in the infrared reflectivity find a clear explanation in terms of well-defined multiphonons scattering processes and lattice dynamics peculiarities, also responsible of a significant and sharp reduction of the longitudinal optical phonon lifetime at critical finite wave vectors. Our work highlights the importance of multi-phonons scattering processes on collective dynamics and related materials properties.