Zhong Qi, Dai Zhenhong, Liu Jianye, Zhao Yinchang, Meng Sheng
Department of Physics, Yantai University Yantai 264005 People's Republic of China
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences Beijing 100190 People's Republic of China
RSC Adv. 2019 Aug 15;9(44):25471-25479. doi: 10.1039/c9ra04748d. eCollection 2019 Aug 13.
Zn(Cd)Se and Zn(Cd)Te are well known for their excellent photoelectric performance, however, their thermoelectric (TE) properties are usually ignored. By taking advantage of first-principles calculations, the Boltzmann transport equation and semiclassical analysis, we executed a series of thermal and electronic transport investigations on these materials. Our results show that CdSe has the lowest anisotropic thermal conductivity, , of the four materials, at 4.70 W m K ( axis) and 3.85 W m K ( axis) at a temperature of 300 K. Inspired by the very low lattice conductivity, other thermoelectric parameters were calculated in the following research. At a temperature of 1200 K we obtained a pretty large power factor, , of 4.39 × 10 W m K, and based it on the fact that the corresponding figure of merit can reach 1.8 and 1.6 along the axis and axis, respectively. We revealed the neglected thermoelectric potential of CdSe by means of systematic studies and demonstrated that it is a promising material with both excellent photoelectric performance and thermoelectric performance.
Zn(Cd)Se和Zn(Cd)Te以其优异的光电性能而闻名，然而，它们的热电（TE）特性通常被忽视。通过利用第一性原理计算、玻尔兹曼输运方程和半经典分析，我们对这些材料进行了一系列热输运和电子输运研究。我们的结果表明，在300 K温度下，CdSe在这四种材料中具有最低的各向异性热导率，在c轴方向为4.70 W m⁻¹ K⁻¹，在a轴方向为3.85 W m⁻¹ K⁻¹。受其极低的晶格热导率的启发，在后续研究中计算了其他热电参数。在1200 K温度下，我们获得了相当大的功率因子，为4.39×10⁻³ W m⁻¹ K⁻²，并且基于此，相应的优值在c轴和a轴方向分别可以达到1.8和1.6。我们通过系统研究揭示了CdSe被忽视的热电潜力，并证明它是一种兼具优异光电性能和热电性能的有前途的材料。
