Thermoelectric Properties of GaN with Carrier Concentration Modulation: An Experimental and Theoretical Investigation

The present work investigates the less explored thermoelectric properties of the n-type GaN semiconductor by combining both experimental and computational tools. The Seebeck coefficients of GaN epitaxial thin films were experimentally measured in the wide temperature range from 77 K to 650 K in steps of ∼10 K covering both low and high-temperature regimes as a function of the carrier concentration (2 × 1016, 2 × 1017, 4 × 1017 and 8 × 1017 cm-3). The measured Seebeck coefficient at room temperature was found to be highest (-374 μV K-1) at the lowest concentration of 4 × 1016 cm-3, and decreases in magnitude monotonically (-327.6 μV K-1, -295 μV K-1, -246 μV K-1 for 2 × 1017, 4 × 1017, 8 × 1017 cm-3, respectively) as the sample carrier concentration increases. The Seebeck coefficient remains negative in the entire temperature range under study indicating that electrons are the dominant carriers. To understand the temperature-dependent behaviour, we also carried out the electronic structure and transport coefficient calculations using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential and semiclassical Boltzmann transport theory implemented in WIEN2k and BoltzTraP code, respectively. The experimentally observed carrier concentrations were used in the calculations. The estimated results obtained under constant relaxation time approximations provide a very good agreement between the theoretical and experimental data of Seebeck coefficients in the temperature range from 260 to 625 K.