Abstract

Phonon excitations play an important role in electronic transport, nonradiative electron-relaxation processes, and other properties of interest for materials characterization, device engineering, and design. We have calculated the phonon dispersions and density of states for wurtzite AlN, GaN, and InN using state-of-the-art density-functional perturbation theory. The calculations are in good agreement with the existing experimental data for zone-center modes and predict the full phonon dispersions throughout the Brillouin zone. In particular, it is found that the three-phonon decay of the LO phonon in two acoustic phonons is not allowed in GaN and InN, since the LO frequency is much larger than the acoustic frequencies over the entire spectrum.

Keywords

Wurtzite crystal structurePhononCondensed matter physicsBrillouin zoneMaterials scienceAb initioRelaxation (psychology)Wide-bandgap semiconductorPhysicsQuantum mechanics

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Publication Info

Year
2000
Type
article
Volume
61
Issue
10
Pages
6720-6725
Citations
272
Access
Closed

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Claudia Bungaro, Krzysztof Rapcewicz, J. Bernholc (2000). <i>Ab initio</i>phonon dispersions of wurtzite AlN, GaN, and InN. Physical review. B, Condensed matter , 61 (10) , 6720-6725. https://doi.org/10.1103/physrevb.61.6720

Identifiers

DOI
10.1103/physrevb.61.6720