Improving thermoelectric performance of α−T3 structure via integration of the Kane-Mele-Hubbard model

Abstract

Our research examines the electronic thermal conductivity, electrical conductivity, Seebeck coefficient, and figure of merit of the α-T₃ structure utilizing the Green's function approach within the Hamiltonian framework of the Kane-Mele (KM) and Hubbard models. We evaluate how variations in chemical potential, on-site Coulomb repulsion (OSCR) strength, and spin-orbit coupling (SOC) parameters influence these properties. Our findings uncover interesting trends: the presence of a flat band at the energy level of zero within this structure and the gap between the flat band and other bands is observed. The observable rise in SOC results in a clear division within the energy band, demonstrating the notable impact SOC exerts on the electronic structure of the system.Moreover, this strategy displays that this material's thermoelectric properties increase due to temperature, SOC, and OSCR. Also, it was observed that augmenting the α parameter can enhance both thermoelectric and thermopower.