Oxygen level dependent lattice dynamics of Na0.73CoO2-δ.

Abstract

The optical and acoustic phonon branches of Na0.73CoO2-δ have been determined using Raman scattering and inelastic neutron scatterings, and their correlation with phononic thermal conductivity kph in terms of oxygen-vacancy concentration δ was investigated. The experimentally observed phonon stiffening of the Raman-active E1g mode suggests that oxygen vacancies may help stabilize texturing of Na ions that gives rise to higher kph with increasing δ. The generalized phonon density of states characterized using inelastic neutron scattering exhibits subtle stiffening of acoustic and optical phonons with δ, which appears to be responsible for the variations in kph(T) profile in the temperature range 323−923 K. © 2010, American Chemical Society