| Outline of Annual Research Achievements |
In the fiscal year FY2018, we theoretically investigated the thermoelectric properties of a series of two-dimensional (2D) materials such as 2D InSe and 2D tetradymites Bi2X3 (X= Te, Se, S). We have proposed a series of new mechanisms to improve the power factor and figure of merit ZT of the 2D materials. For example, the band engineering to converge the valence (or conduction) bands to achieve high valley degeneracy, which showed a strategy in designing thermoelectric materials with an extremely high power factor. The band converge is achieved in the 2D InSe and 2D tetradymites by applying strain and selecting the atom compounds, respectively. ZT also is improved by decreasing the thermal conductivity of 2D materials with heavy atomic masses.
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