Effects of topological band structure on thermoelectric transport of bismuthene

in Physical Review. B (2021), 104(20), 205105

Two-dimensional bismuth (Bi) layer, known as bismuthene, exhibits Z2 topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band ... [more ▼]

Two-dimensional bismuth (Bi) layer, known as bismuthene, exhibits Z2 topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band structure of buckled bismuthene to understand its topological and trivial phases. We determine the thermoelectric properties for some considered phases, incorporating the edge states contribution, by using the linearized Boltzmann transport equation with a constant relaxation time approximation. It is shown that the thermoelectric figure of merit, ZT, actually drops in undoped topological bismuthene due to the edge effects. Surprisingly, the topological edge states enhance ZT at large doping with the Fermi energy near the bottom of bulk bands when bismuthene is nearly metallic. [less ▲]