Abstract

The experimentally synthesized β-phase (high-temperature phase) SnSe (>750 K) shows good thermoelectric properties due to its very low lattice thermal conductivity. However, the β-phase SnSe will decompose above 850 K and thus can only be used in a small temperature range. InBr has a similar lattice structure with the β-phase SnSe, except the In-In bonds between two adjacent layers. But InBr has a large bandgap. Here, we employ pressure to regulate the electronic structure and the thermoelectric properties of InBr. It is found that, with increasing pressure, the energy bands near the valence band edge split, and a light band and a heavy band appear on its valence band edge. In addition, the transport properties of InBr are predicted by the semiclassical Boltzmann theory. The results show that the ZT values of p-type and n-type InBr may achieve 1.60 and 2.11 under at 7 GPa and 2 GPa, respectively.

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