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| Paper IPM / P / 16540 |
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Bismuth based structures are among the most promising candidates for thermoelectric applications. Recently, a semiconducting binary compound with stoichiometry of Sn2Bi has been synthesized, showing a strong spinâorbit coupling effect and high electronâhole asymmetry. Motivated by the experiment, we performed a density functional theory calculation combined with the semiclassical Boltzmann transport equation to investigate the thermoelectric properties of the stabilized Sn2Bi monolayer. It is demonstrated that the mobility is strongly dependent on the strain. It is 2389 (186) cm2 Vâ1 sâ1 for hole (electron) in relaxed monolayer, but it becomes 1758 (1758) cm2 Vâ1 sâ1 by applying a 2.5
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