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Issue 66, 2015
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Type-I clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4)†

Hui Zhang,a   Xuguang Xu,b   Wei Li,b   Gang Mu,b   Fu-Qiang Huang*ac  and  Xiao-Ming Xieb  
Author affiliations

* Corresponding authors

a CAS Key Laboratory of Materials for Energy Conversion, State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, P. R. China
E-mail: huangfq@mail.sic.ac.cn
Tel: +86-21-52411620

b State Key Laboratory of Functional Materials for Informatics and Shanghai Center for Superconductivity, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, P. R. China

c Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China

Abstract

Type-I clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4) are synthesized directly from the corresponding elements. The structures are resolved by powder XRD data by means of a least-squares technique using WinCSD program. The refined lattice parameters are a = 10.70783(3) Å and a = 10.84493(3) Å for K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4), respectively. The electronic band structure and density of states indicate K8Cu3Ge43 and Rb8Ag3Ge43 are p-type semiconductors with narrow indirect band gaps of 0.33 and 0.24 eV. In addition, K7.69(2)Cu2.94(6)Ge43.06(6) displays a diamagnetism with χ = −1.102(1) × 10−3 emu mol−1 in the field of 7 T at 400 K and has a strong Einstein model with θE = 56.3(1) K and θD = 297(3) K.

Graphical abstract: Type-I clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4)

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Article information

https://doi.org/10.1039/C5RA09382A
Submitted
19 May 2015
Accepted
09 Jun 2015
First published
09 Jun 2015
RSC Adv., 2015,5, 53829-53834
Article type
Paper
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Type-I clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4)

H. Zhang, X. Xu, W. Li, G. Mu, F. Huang and X. Xie, RSC Adv., 2015, 5, 53829
DOI: 10.1039/C5RA09382A

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