Abstract
We have determined the lattice vibrational and dielectric properties of the newly predicted orthorhombic Pnma-InN, using the density functional perturbation theory. The origin of the observed phonon band gap separating optical modes is discussed. The full set zone center phonon modes and the longitudinal-transverse (LO-TO) splitting are presented and discussed. The LO-TO splitting is found to be largest for B2u mode at 471.33 cm−1 which is dominated by in-phase displacements of nitrogen atoms. The structural and dielectric properties of the orthorhombic Pnma-InN are compared to those of wurtzite and zinc blende phases of InN.
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