Lattice dynamics of wurtzite and rocksalt AlN under high pressure: Effect of compression on the crystal anisotropy of wurtzite-type semiconductors

Abstract

Raman spectra of aluminum nitride (AlN) under pressure have been measured up to 25GPa, i.e., beyond the onset of the wurtzite-to-rocksalt phase transition around 20GPa. The experimental pressure coefficients for all the Raman-active modes of the wurtzite phase are reported and compared to those obtained from ab initio lattice dynamical calculations, as well as to previous experimental and theoretical results. The pressure coefficients of all the Raman-active modes in wurtzite-type semiconductors (AlN, GaN, InN, ZnO, and BeO), as well as the relatively low bulk modulus and phase transition pressure in wurtzite AlN, are discussed in the light of the pressure dependence of the structural crystal anisotropy in wurtzite semiconductors. On pressure release, AlN partially returns to the wurtzite phase below 1.3GPa but the presence of a rocksalt phase in AlN was observed at pressures as low as 1.3GPa, as evidenced by comparing the experimental Raman spectra to calculated one- and two-phonon densities of states of the rocksalt phase.