Synergy of Rashba and Topological Effects for High-Performance Bismuth-Based Thermoelectrics
Abstract
Band convergence is a key strategy for enhancing thermoelectric (TE) performance. Herein, we demonstrate a promising approach to enhance band convergence through inducing Rashba splitting in topological insulators. Theoretically designed Janus β-Bi2Se2Te and β-Bi2Te2Se exhibited inherent topological band inversion and Rashba splitting due to the strong spin-orbit coupling (SOC) with broken inversion symmetry. These characteristics synergistically improve band convergence, leading to a substantially enhanced power factor. Meanwhile, the Janus structural asymmetry suppresses lattice thermal conductivity. Consequently, Janus structures achieve boosted TE performance, especially for β-Bi2Se2Te, peaking figure of merit (zT) of 2.82. This work establishes a new framework for designing Janus topological compounds with high TE performance by the synergistic effect of Rashba splitting and band inversion.
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