Phonon signature of the high-pressure rocksalt phase of InN

Phonon dispersion ω(q) and phonon density of states g(ω) of the high‐pressure rocksalt phase of InN are calculated ab initio, at different pressures, using the density functional perturbation theory. Born effective charge eT*, LDA values of dielectric constant ε∞ and of the electronic gap Eg are obt...

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Bibliographic Details
Published in:Physica Status Solidi. B: Basic Solid State Physics 2015-09, Vol.252 (9), p.2104-2110
Main Authors: Kunc, K., Polian, A., Demangeot, F., Briot, O.
Format: Article
Language:English
Subjects:
ab initio calculation
Charge
Condensed Matter
Construction
Density
Dispersions
Electronics
Epitaxial layers
high pressure
InN
Materials Science
Phonons
Physics
Raman scattering
rocksalt phase
Signatures
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Summary:Phonon dispersion ω(q) and phonon density of states g(ω) of the high‐pressure rocksalt phase of InN are calculated ab initio, at different pressures, using the density functional perturbation theory. Born effective charge eT*, LDA values of dielectric constant ε∞ and of the electronic gap Eg are obtained as well. Building on the theoretical knowledge of phonon frequencies and their evolution with pressure, we attempt to interpret the set of six bands found previously in Raman spectra of epitaxial layers and of InN‐nanowires.
ISSN:0370-1972
1521-3951
DOI:10.1002/pssb.201552126