Effect of localization–delocalization transition on thermoelectric properties of Bi2Te2Se topological insulator

Abstract

The thermal transport properties of Bi2Te2Se topological insulators show a range of complex features. Large bulk resistivities coexisting with prominent Shubnikov–de Haas quantum oscillations and proximity to metallic states mark this p-band system as an unconventional topological quantum material. Here, using the density functional plus dynamical mean-field theory method, we show how localization–delocalization transition underpins the T-dependence of thermoelectric responses from room down to low temperatures. We present the implications of our many-particle analysis to resistivity, Seebeck coefficient, thermal conductivity, and Lorenz number and propose that related broadband systems close to electronic transitions could be of use in thermoelectrics.