Journal
PHYSICAL REVIEW B
Volume 61, Issue 13, Pages 8625-8627Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.61.8625
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Structural and lattice dynamical properties of sapphire are investigated within the framework of density functional perturbation theory. We obtain weak anisotropies in the dielectric tensor and in the Born effective charges. The theoretical phonon dispersions are found to be in very satisfactory agreement with available experimental data.
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