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Structural and electrical transport properties of Mg-doped n-type Sn-based type Ⅷ single crystalline clathrate

Meng Dai-Yi Shen Lan-Xian Li De-Cong Shai Xu-Xia Deng Shu-Kang

Structural and electrical transport properties of Mg-doped n-type Sn-based type Ⅷ single crystalline clathrate

Meng Dai-Yi, Shen Lan-Xian, Li De-Cong, Shai Xu-Xia, Deng Shu-Kang
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Publishing process
  • Received Date:  15 April 2014
  • Accepted Date:  30 April 2014
  • Published Online:  05 September 2014

Structural and electrical transport properties of Mg-doped n-type Sn-based type Ⅷ single crystalline clathrate

  • 1. Education Ministry Key Laboratory of Renewable Energy Advanced Materials and Manufacturing Technology, Yunnan Normal University, Kunming 650500, China;
  • 2. Photoelectric Engineering College, Yunnan Open University, Kunming 650050, China
Fund Project:  Project supported by the National Natural Science Foundation of China (Grant No. 51262032).

Abstract: Mg-doped Sn-based single crystalline samples Ba8Ga16-XMgXSn30(0 X 1.5) were grown from Sn flux to characterize their structural and electrical transport properties. Research results show that the prepared compounds are well indexed by the type-Ⅷ clathrate structure with a space group I43 m. With the increase in Mg content, the melting point of the corresponding compounds increases. On the contrary, the lattice constant decreases. The actual content of filling atomic Ba in doped samples is below the ideal value of 8.0, the occupancy of Ba in the dodecahedron is about 0.93 for the sample with X=1.5. All the samples show n-type conduction. The Mg atoms have an effect on the band structure of the materials, and the carrier concentrations in the doped samples are reduced. However, the absolute values of Seebeck coefficient and the resistivity of doped compounds increase, respectively. By calculation, the sample of X=1.5 obtains the maximum value of power factor 1.2610-3 Wm-1K-2 near 430 K.

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