摘要
Based on first-principles calculations, Boltzmann transport equation and semiclassical analysis, we conduct a detailed study on the lattice thermal conductivity κL, Seebeck coefficient S, electrical conductivity σ, power factor S2σ and dimensionless figure of merit, zT, for K3IO. It is found that K3IO exhibits relatively low lattice thermal conductivity of 0.93 W·m-1·K-1 at 300 K, which is lower than the value 1.26 W·m-1·K-1 of the classical TE material PbTe. This is due to the smaller phonon group velocity νg and smaller relaxation time τλ. The low lattice thermal conductivity can lead to excellent thermoelectric properties. Thus maximum zT of 2.87 is obtained at 700 K, and the zT = 0.41 at 300 K indicate that K3IO is a potential excellent room temperature TE material. Our research on K3IO shows that it has excellent thermoelectric properties, and it is a promising candidate for applications in fields in terms of thermoelectricity.
作者
王巍强
戴振宏
钟琦
赵银昌
孟胜
Weiqiang Wang;Zhenhong Dai;Qi Zhong;Yinchang Zhao;Sheng Meng(Department of Physics,Yantai University,Yantai 264005,China;Beijing National Laboratory for Condensed Matter Physics and Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;Collaborative Innovation Center of Quantum Matter,Beijing 100084,China)
基金
Project supported by the National Natural Science Foundation of China(Grant Nos.11974302,11774396,and 11704322)
the Shandong Natural Science Funds for Doctoral Program,China(Grant No.ZR2017BA017).