电热输运微观机制理解与新热电材料设计  

Understanding of transport properties and design of new thermoelectric materials from the microscopic perspective

作　　者：孙永兴[1] 杨炯[2] 席丽丽[3] 邱吴劼 吴立华[2] 张文清[1,2] 

机构地区：[1]上海大学材料科学与工程学院,上海200444 [2]上海大学材料基因组工程研究院,上海200444 [3]中国科学院上海硅酸盐研究所高性能陶瓷和超微结构国家重点实验室,上海200050

出　　处：《自然杂志》2016年第5期327-333,共7页Chinese Journal of Nature

基　　金：国家自然科学基金(11234012;51572167;51632005);上海市优秀学术带头人项目(16XD1401100);上海市自然科学基金(16ZR1448000);上海高校特聘教授(东方学者;编号:TP2015041)岗位计划资助

摘　　要：基于材料微观理解的热电材料理论设计是热电领域的研究趋势,可以大大加快热电材料的研发速度。用三个热电材料的理论设计实例,综述了与能级简并相关的能带工程、复杂化合物中导电通道和电热输运性能独立调控,以及具有反常热导率变化的半晶态化合物等方面的研究,涵盖了电和热输运的多个方面,同时也指出了几个热电材料理论设计的未来发展方向。The design of new thermoelectric materials based on the knowledge at the microscopic scale is increasingly popular in thermoelectric society, which speeds up the discovery of new compositions. In this paper, three examples for the theoretical design of thermoelectric materials are presented. The topics include the band convergence, the conductive network and the separation of electrical and thermal transport in complex materials, and the part-crystalline part-liquid compounds with unique lattice dynamics, covering many aspects in thermoelectrics. New directions for the theoretical designs in thermoelectrics are also discussed.

关 键 词：热电材料 理论设计 能带简并 导电通道 半晶态 

分 类 号：TB34[一般工业技术—材料科学与工程]