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RESEARCH PRODUCT

Phonon Dispersion of Wurtzite CdSe: The Bond Charge Model

Andrés CantareroJ. Camacho

subject

Materials scienceCondensed matter physicsCondensed Matter::Otherbusiness.industryPhononNeutron scatteringCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsBrillouin zoneCondensed Matter::Materials ScienceSemiconductorAb initio quantum chemistry methodsMolecular vibrationDispersion (optics)businessWurtzite crystal structure

description

The phonon dispersion of wurtzite CdSe is presented along the main directions of the Brillouin zone. The study has been performed by using a bond charge model for wurtzite-type semiconductors with only six adjustable parameters. The results are compared against neutron scattering data and ab initio calculations. The phonon eigenvectors corresponding to the vibrational modes at the Γ-point are in very good agreement with the ab initio calculations.

https://doi.org/10.1002/1521-3951(200007)220:1<233::aid-pssb233>3.0.co;2-8