Scattering lifetime and high figure of merit in CsAgO predicted by methods beyond relaxation time approximation

Abstract

The electronic transport behaviour of CsAgO has been discussed using the theory beyond relaxation time approximation from room temperature to 800 K. Different scattering mechanisms such as acoustic deformation potential scattering, impurity phonon scattering, and polar optical phonon scattering are considered for calculating carrier scattering rates to predict the absolute values of thermoelectric coefficients. The scattering lifetime is of the order of 10−14 s. The lattice thermal transport properties like lattice thermal conductivity and phonon-lifetime have been evaluated. The calculated lattice thermal conductivity equals 0.12 and 0.18 W mK−1 along ‘a’ and ‘c’ axes, respectively, at room temperature, which is very low compared to state-of-the-art thermoelectric materials. The anisotropy in the electrical conductivity indicates that the holes are favourable for the out-of-plane thermoelectrics while the electrons for in-plane thermoelectrics. The thermoelectric figure of merit for holes and electrons is nearly same with a value higher than 1 at 800 K for different doping concentrations. The value of the thermoelectric figure of merit is significantly higher than the existing oxide materials, which might be appealing for future applications in CsAgO.