分类： 物理学 >> 普通物理:统计和量子力学,量子信息等 提交时间： 2017-05-02
Xu, JT [Xu, Jingtao][ 1 ]
Wu, JZ [Wu, Jiazhen][ 2 ]
Shao, HZ [Shao, Hezhu][ 1 ]
Heguri, S [Heguri, Satoshi][ 2 ]
Tanabe, YC [Tanabe, Yoichi][ 3 ]
Liu, YF [Liu, Yongfu][ 1 ]
Liu, GQ [Liu, Guo-Qiang][ 1 ]
Jiang, J [Jiang, Jun][ 1 ]
Jiang, HC [Jiang, Haochuan][ 1 ]
Tanigaki, K [Tanigaki, Katsumi][ 2,3 ]
摘要： We study type I clathrate Ba8Cu5.1Ge40.2Sn0.7 single crystals (space group Pm3"n, no. 223, a 1⁄4 10.7151(3)) grown using a Sn flux method. Microprobe analysis and single-crystal X-ray diffraction reveal a small amount of Sn embedded in the Cu/Ge framework, which increases disorder at the guest Ba sites. Ba8Cu5.1Ge40.2Sn0.7 is diamagnetic with a susceptibility of $2.8 10 7 emu g 1 and shows metal-like behavior (dr/dT > 0) with a low charge carrier concentration of 0.5 e per unit cell at 300 K. The single crystals show a relatively high carrier mobility (m (300 K) 1⁄4 11.9 cm2 V 1) and very low lattice thermal conductivity ($0.6 W m 1 K 1). The thermoelectric figure of merit ZT of Ba8Cu5.1Ge40.2Sn0.7 single crystals reaches a maximum value of 0.6 at 773 K, which can be further improved by adjusting the chemical composition.
提交时间： 2017-05-02
Shao, HZ [Shao, Hezhu][ 1 ]
Tan, XJ [Tan, Xiaojian][ 1 ]
Hu, TQ [Hu, Tianqi][ 1 ]
Liu, GQ [Liu, Guo-Qiang][ 1 ]
Jiang, J [Jiang, Jun][ 1 ]
Jiang, HC [Jiang, Haochuan][ 1 ]
摘要： principles calculations. The obtained phonon frequencies agree well with the measurements of Raman scattering. The thermodynamic properties are calculated within quasi-harmonic approximation, and the measured lattice thermal conductivity is well reproduce
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