Development of new simulation method for thermoelectric properties for nanomaterials and its application

随着社会对集能技术发展的需求，提高材料的热电性能无论是在基础科学领域还是在器件应用领域都受到了广泛的关注。在这项研究中，我们发展了一种新的材料热电性质的模拟方法，并在此基础上构建了一种新的模拟器。此外，我们利用该模拟器研究了具有随机分布杂质的半导体碳纳米管的电子输运性质，以及电子-电子相互作用对纳米结构电子输运的影响。

According to the social demand for developing the energy harvesting technologies, enhancement of thermoelectric performance of materials have been attracted much attention both for the fundamental science and device applications. In this study, we have developed a new simulation method for thermoelectric properties of materials and constructed a new simulator based on the theory we developed. Furthermore, we investigated the electronic transport properties on semiconducting carbon nanotubes with randomly distributed impurities and the influence of the electron-electron interaction onto the electronic transport on nanoscale structures with the use of the simulator.