Thermoelectric properties of Li2PbGeS4 polar chalcopyrites single crystals as photovoltaic candidate

A theoretical calculation of thermoelectric properties of polar chalcopyrites Li2PbGeS4 single crystals is performed in this work. The electronic transport properties are studied using the full-potential linearized augmented plane wave technique (FP-LAPW) and the semi-classical Boltzmann theory under the constant relaxation time for charge carriers and with the deformation potential approximation. The Seebeck co-efficient, electrical conductivity, thermal conductivity and power factor as a function of chemical potential as well as carrier concentration with different temperature is studied. The calculated power factor value shows that Li2PbGeS4 crystals is good thermoelectric material in comparison with some well-known thermoelectric materials.