Phonons in SiC from INS, IXS, and Ab-Initio Calculations
Preliminary results for the phonon dispersion curves of hexagonal 4H-SiC from experimental inelastic neutron (INS) and X-ray scattering (IXS) are reported and contrasted with those of cubic 3C-SiC and silicon. The experimental frequencies and scattering intensities are in excellent agreement with those from first-principles calculations using density-functional methods. The relative merits of the two experimental techniques and aspects of the density functional perturbation theory and the so-called frozen phonon method for the determination of the basic phonon properties are briefly outlined.
Robert P. Devaty, David J. Larkin and Stephen E. Saddow
D. Strauch et al., "Phonons in SiC from INS, IXS, and Ab-Initio Calculations", Materials Science Forum, Vols. 527-529, pp. 689-694, 2006