Lattice dynamics of KxRhO2 single crystals

Abstract

A series of crystals KxRhO2 (x = 0.72, 0.63, 0.55, 0.39, and 0.24) have been synthesized and their vibrational properties have been studied by first principles calculations, Raman spectroscopy, and inelastic neutron scattering. The measured vibrational spectra of KxRhO2 for x = 0.72 and 0.63 are consistent with the theoretical prediction for the stoichiometric KRhO2. For samples with x = 0.55, 0.39 and 0.24, extra vibrational modes have been observed and they are believed to be due to the symmetry reduction and the loss of translational symmetry induced by K disorder. The good agreement was found for the phonon density of states among the Raman spectroscopic observations, inelastic neutron scattering and the first principles calculations, as an evidence for the generation of structure disorder by K deficiency.