Planar force-constant method for lattice dynamics of cubic InN

• Published in: Materials science & engineering. B, Solid-state materials for advanced technology Solid-state materials for advanced technology, 2002-05, Vol.93 (1), p.90-93
• Main Authors: Alves, H.W.Leite, Alves, J.L.A., Scolfaro, L.M.R., Leite, J.R.
• Format: Article
• Language: English
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Electron states; Exact sciences and technology; Hydrostatic strains; Inorganic compounds; LAPW; Lattice dynamics; Methods of electronic structure calculations; Phonon dispersion; Phonons and vibrations in crystal lattices; Phonons in crystal lattices; Physics; Planar force constants; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Theories and models of many electron systems
• ISSN: 0921-5107; 1873-4944
• DOI: 10.1016/S0921-5107(02)00036-3

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 and the phonon dispersion along [100] and [111] directions for the cubic Indium Nitride (c-InN), including hydrostatic strains dependence. A good agreement with the micro-Raman scattering experiment is obtained for the phonon modes at Γ. Our results show that the apparent divergence between the known experimental results is a consequence of hydrostatic effects on the sample due to differences of the used Raman methods.