论文标题
使用具有墨西哥帽子带的异质结构，对过渡后金属葡萄构物（PTMC）的热电学急剧增强
Sharp enhancement on thermoelectric figure-of-merit of post-transition metal chalcogenides (PTMCs) using heterostructures with Mexican-hat valence band
论文作者
论文摘要
过渡后金属金属核苷（PTMC），例如GASE，GAS，INSE和INS，由于晶状体电导率较低而导致有前途的热电材料，源自原子分层的结构，高seebeck系数，并且预期其数字在稀疏到几乎没有层次结构时会改善其数字，因此可以将其缩减为几层的结构。在这里，我们通过Ab始于计算表明，即使在INSE/GASE类型II异质结构的厚膜上也存在MHVB，并且与散装Inse相比，预计在室温下，在室温下的热电图ZT上也有50％的增强。
Post-transition metal chalcogenides (PTMCs) such as GaSe, GaS, InSe, and InS have been proposed as promising thermoelectric materials due to low lattice conductivity, originating from the atomically layered structure, high Seebeck coefficient, and the anticipation that its figure-of-merit be improved when thinned to few-layers as the band structure turns into Mexican-hat valence band (MHVB). Here we show by ab initio calculations that the MHVB should be present even on thick films of InSe/GaSe type-II heterostructures, and a 50% enhancement on thermoelectric figure-of-merit zT at room-temperature is expected when compared with bulk InSe.
