Phonon excitations and related thermal properties of aluminum nitride

Abstract

The phonon density of states of aluminum nitride was determined by time-of-flight neutron spectroscopy using a polycrystalline sample. The observed phonon excitation spectrum consists of a broadband centered at about 35 meV, a small gap in the 75--80 meV region, and two sharp bands at approximately 85 and 92 meV. A rigid-ion model was applied to the interpretation of the data. After optimization, the model provided a satisfactory description of the neutron results as well as the Raman and IR data, sound-velocity measurements, and the lattice specific heat reported in the literature. The partial and total DOS and the phonon-dispersion curves along major symmetry directions of the Brillouin zone were calculated, and the contribution of phonons to the Debye behavior of the low-temperature thermal conductivity was discussed.