Calculated thermoelectric properties of InxGa1−xN, InxAl1−xN, and AlxGa1−xN

Abstract

The thermoelectric properties of III-nitride materials are of interest due to their potential use for high temperature power generation applications and the increasing commercial importance of the material system; however, the very large parameter space of different alloy compositions, carrier densities, and range of operating temperatures makes a complete experimental exploration of this material system difficult. In order to predict thermoelectric performances and identify the most promising compositions and carrier densities, the thermoelectric properties of InxGa1−xN, InxAl1−xN, and AlxGa1−xN are modeled. The Boltzmann transport equation is used to calculate the Seebeck coefficient, electrical conductivity, and the electron component of thermal conductivity. Scattering mechanisms considered for electronic properties include ionized impurity, alloy potential, polar optical phonon, deformation potential, piezoelectric, and charged dislocation scattering. The Callaway model is used to calculate the phonon component of thermal conductivity with Normal, Umklapp, mass defect, and dislocation scattering mechanisms included. Thermal and electrical results are combined to calculate ZT values. InxGa1−xN is identified as the most promising of the three ternary alloys investigated, with a calculated ZT of 0.85 at 1200 K for In0.1Ga0.9N at an optimized carrier density. AlxGa1−xN is predicted to have a ZT of 0.57 at 1200 K under optimized composition and carrier density. InxAl1−xN is predicted to have a ZT of 0.33 at 1200 K at optimized composition and carrier density. Calculated Seebeck coefficients, electrical conductivities, thermal conductivities, and ZTs are compared with experimental data where such data are available.