Thermoelectric power calculation by the Boltzmann equation: Na_<i>x</i>CoO₂

Abstract

A full-potential augmented-plane-wave (FLAPW) band-structure calculation in the local density approximation (LDA) was carried out for hexagonal Na(x)CoO(2) (x = 0.45, 0.55, 0.66 and 0.75). The Seebeck tensor was estimated by the Boltzmann theory, assuming that the relaxation time is constant on the Fermi surface. The Seebeck tensor is extremely anisotropic; the c-axis Seebeck coefficient varies dramatically with the Na content. The calculation reproduces the experiment semiquantitatively.