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.

Automated summary

First-principles electronic structure and Boltzmann transport calculations were used to study the electronic and thermoelectric properties of Ga-doped ZnO (GZO). GZO showed similar behavior with pristine ZnO, except for the position of Fermi level which was affected by the additional electron. It is suggested that controlling the Ga concentration can optimize the power factor of GZO.