Prokofiev Andrey, Svagera Robert, Waas Monika, Weil Matthias, Bernardi Johannes, Paschen Silke
Institute of Solid State Physics, Vienna University of Technology , Wiedner Hauptstrasse 8-10, Vienna 1040, Austria.
Institute of Chemical Technologies and Analytics, Vienna University of Technology , Getreidemarkt 9/164-SC, 1060 Vienna, Austria.
Cryst Growth Des. 2016 Jan 6;16(1):25-33. doi: 10.1021/acs.cgd.5b00461. Epub 2015 Dec 2.
Type-I clathrates possess extremely low thermal conductivities, a property that makes them promising materials for thermoelectric applications. The incorporation of cerium into one such clathrate has recently been shown to lead to a drastic enhancement of the thermopower, another property determining the thermoelectric efficiency. Here we explore the mechanism of the incorporation of rare earth elements into type-I clathrates. Our investigation of the crystal growth and the composition of the phase Ba RE TM Si (RE = rare earth element; TM = Au, Pd, Pt) reveals that the RE content is mainly governed by two factors, the free cage space and the electron balance.
I型包合物具有极低的热导率，这一特性使其成为热电应用的有前景材料。最近已表明，将铈掺入一种这样的包合物中会导致热功率急剧提高，热功率是决定热电效率的另一个特性。在这里，我们探索将稀土元素掺入I型包合物的机制。我们对晶体生长以及Ba RE TM Si相（RE = 稀土元素；TM = Au、Pd、Pt）的组成进行的研究表明，稀土元素的含量主要由两个因素决定，即自由笼状空间和电子平衡。
