Studying Electronic and Thermoelectric Properties of Ga-doped ZnO using Rigid Band Model

A combination of a first-principles electronic structure and Boltzmann transport calculations was used to study the electronic and thermoelectric properties of Ga-doped ZnO (GZO). Band structure of GZO showed rigid-like behavior with that of pristine ZnO; however, the only difference was seen in the position of Fermi level due to an additional electron. Therefore, the thermoelectric properties of GZO were found to show similar behavior with pristine ZnO. We suggest that it is possible to control the carrier concentration of the doped system by controlling the Ga concentration, which can optimize the power factor of GZO.