Lattice dynamics and thermodynamic properties of Y3Al5O12 (YAG)

We present inelastic neutron scattering measurements of Y3Al5O12. The measured neutron-weighted phonon density-of-states and optical frequencies are compared with the results from atomistic calculations within Quasi-Harmonic Approximation (QHA) over a wide temperature range, using both first principles density functional theory also an extended empirical interatomic-potential shell model scheme. phonon-related thermodynamic elastic properties calculated QHA in excellent agreement available experimental data.