Research of High Performance Thermoelectric Materials with Nano-size Cages by focusing Random Host Structure of Quaternary Sn-based Clathrate Semiconductors

聚焦四元锡基笼形半导体随机主体结构研究纳米笼高性能热电材料

• 批准号: 23560838
• 负责人: AKAI KOJI
• 金额: $ 3.33万
• 依托单位: Yamaguchi University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011 至 2013
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23560838/
• 关键词: 熱･エネルギー材料; 熱電クラスレート半導体; 熱電材料; クラスレート半導体; ランダムポテンシャル; 熱･エネルギー材料; 熱電クラスレート半導体; 熱電材料; クラスレート半導体; ランダムポテンシャル

We studied improve of a thermoelectric performance for Ba-Ga-Sn clathrate semiconductors with nano-size caged structure. The Sn-based clathrates have high abilities as high performance thermoelectric materials, in spits of a random structure of Ga and Sn in the host lattice. Therefore it is expected that transport properties are robust for additional element doping in Ba-Ga-Sn. In this study we tried to enhance the mobility of carrier by atomic doping to host sites or guest sites. In theoretical approaches we calculated the electronic structure by an ab-initio method and calculated the thermoelectric properties by using calculated band structure. In the calculation of the thermoelectric properties the semi-classical theory was used by the Boltzmann equation. In the experimental researches, new materials were synthesized, and a thermoelectric power, an electrical conductivity, and a thermal conductivity were measured.

我们研究了具有纳米尺寸笼式结构的BA-GA-SN外层半导体的热电性能。基于SN的外层岩具有高性能热电材料的高能力，在宿主晶格中的GA和SN的随机结构中吐出。因此，预计运输特性对于BA-GA-SN中的其他元素掺杂是可靠的。在这项研究中，我们试图通过原子掺杂托管站点或来宾站点来增强载体的活动性。在理论方法中，我们通过AB-Initio方法计算了电子结构，并使用计算的谱带结构计算了热电性能。在计算热电特性时，Boltzmann方程使用了半古典理论。在实验研究中，合成了新材料，并测量了热电功率，电导率和热导率。