6533b828fe1ef96bd1288266

RESEARCH PRODUCT

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

Núria GarroDaniel ErrandoneaFrancisco Javier ManjonJorge SerranoAlessandra RomeroMartin Kuball

subject

Bulk modulusPhase transitionMaterials scienceCondensed matter physicsCondensed Matter::Otherbusiness.industryAb initioNitrideCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsCondensed Matter::Materials Sciencesymbols.namesakeSemiconductorLattice (order)symbolsbusinessRaman spectroscopyWurtzite crystal structure

description

Raman spectra of aluminum nitride (AlN) under pressure have been measured up to $25\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$, i.e., beyond the onset of the wurtzite-to-rocksalt phase transition around $20\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. 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 $1.3\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ but the presence of a rocksalt phase in AlN was observed at pressures as low as $1.3\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$, as evidenced by comparing the experimental Raman spectra to calculated one- and two-phonon densities of states of the rocksalt phase.

https://doi.org/10.1103/physrevb.77.205204