Planar force-constant method for lattice dynamics of cubic III-nitrides

Using the density-functional theory within the Full Potential Linear Augmented Plane-Wave (FP-LAPW) method, we have calculated, in this work, the equation of state, the effective charges and the phonon dispersion along [100] and [111] directions for the cubic III-Nitrides(c-BN, c-AlN, c-GaN and c-In...

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Bibliographic Details
Published in:Brazilian journal of physics 2002-06, Vol.32 (2a), p.448-451
Main Authors: Alves, H. W. Leite, Alves, J. L. A., Scolfaro, L. M. R., Leite, J. R.
Format: Article
Language:English
Subjects:
PHYSICS, MULTIDISCIPLINARY
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Summary:Using the density-functional theory within the Full Potential Linear Augmented Plane-Wave (FP-LAPW) method, we have calculated, in this work, the equation of state, the effective charges and the phonon dispersion along [100] and [111] directions for the cubic III-Nitrides(c-BN, c-AlN, c-GaN and c-InN), including hydrostatic strains dependence. A good agreement with the micro-Raman scattering experiment is obtained for the phonon modes at G. Our results show that, for c-InN case, the apparent discrepancy between the known experimental results is a consequence of hydrostatic effects on the sample due to differences of the used Raman methods.
ISSN:0103-9733
1678-4448
DOI:10.1590/S0103-97332002000200059