Thermoelectric properties of two-dimensional hexagonal indium–VA  

作　　者：毕京云 韩利红 王倩 伍力源 屈贺如歌 芦鹏飞 

机构地区：[1]State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China [2]School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, China [3]State Key Laboratory of Functional Materials for lnformatics, Shanghai Institute of Microsystem and information Technology, Chinese Academy of Sciences, Shanghai 200050, China

出　　处：《Chinese Physics B》2018年第2期502-509,共8页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant Nos.61675032 and 11604019);the National Basic Research Program of China(Grant No.2014CB643900)

摘　　要：The electrical properties and thermoelectric（TE） properties of monolayer In–VA are investigated theoretically by combining first-principles method with Boltzmann transport theory. The ultralow intrinsic thermal conductivities of 2.64 W·m^（-1）·K^（-1）（InP）, 1.31 W·m^（-1）·K^（-1）（InAs）, 0.87 W·m^（-1）·K^（-1）（InSb）, and 0.62 W·m^（-1） K^（-1）（InBi） evaluated at room temperature are close to typical thermal conductivity values of good TE materials（κ 〈 2 W·m^（-1）·K^（-1））. The maximal ZT values of 0.779, 0.583, 0.696, 0.727, and 0.373 for InN, InP, InAs, InSb, and InBi at p-type level are calculated at 900 K,which makes In–VA potential TE material working at medium-high temperature.The electrical properties and thermoelectric（TE） properties of monolayer In–VA are investigated theoretically by combining first-principles method with Boltzmann transport theory. The ultralow intrinsic thermal conductivities of 2.64 W·m^（-1）·K^（-1）（InP）, 1.31 W·m^（-1）·K^（-1）（InAs）, 0.87 W·m^（-1）·K^（-1）（InSb）, and 0.62 W·m^（-1） K^（-1）（InBi） evaluated at room temperature are close to typical thermal conductivity values of good TE materials（κ 〈 2 W·m^（-1）·K^（-1））. The maximal ZT values of 0.779, 0.583, 0.696, 0.727, and 0.373 for InN, InP, InAs, InSb, and InBi at p-type level are calculated at 900 K,which makes In–VA potential TE material working at medium-high temperature.

关 键 词：thermoelectric properties two-dimensional In–VA figure of merit 

分 类 号：O469[理学—凝聚态物理]