Globally Optimal Band Structure for Thermoelectrics in Realistic Systems

Abstract

Observation is made that a linear dispersion in any dimension under acoustic-phonon-deformation-potential scattering theoretically prescribes a constant charge transport distribution, required for the boxcar profile known to maximize the thermoelectric figure of merit. A linear dispersion squeezed by two transport gaps for optimized bandwidth under scattering by phonon deformation then theoretically constitutes a globally optimal qualitative band structure that may arise in real systems.