Ab initio lattice dynamics of sapphire

Citation
R. Heid et al., Ab initio lattice dynamics of sapphire, PHYS REV B, 61(13), 2000, pp. 8625-8627
Citations number
15
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
13
Year of publication
2000
Pages
8625 - 8627
Database
ISI
SICI code
1098-0121(20000401)61:13<8625:AILDOS>2.0.ZU;2-Z
Abstract
Structural and lattice dynamical properties of sapphire are investigated wi thin the framework of density functional perturbation theory. We obtain wea k anisotropies in the dielectric tensor and in the Born effective charges. The theoretical phonon dispersions are found to be in very satisfactory agr eement with available experimental data.