TOSSPB: Thermoelectric optimization based on scattering-dependent single-parabolic band model

Thermoelectric materials can contribute to the energy generation by converting thermal into electrical energy. However, current thermoelectrics exhibit low efficiency due to their complex intertwined electrical and thermal properties. Diverse first-principles (based on density functional theory [DFT]) and experimental (based on the single parabolic band [SPB] model) optimization strategies have been explored. However, DFT calculations are …