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Issue 79, 2016, Issue in Progress
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New clathrates of Rb7.50(1)Tl0.50(1)Ge46 and K7.62(1)Tl0.38(1)Ge45.34(3)

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Abstract

New Tl type-I clathrates of K7.62(1)Tl0.38(1)Ge45.34(3) and Rb7.50(1)Tl0.50(1)Ge46 were synthesized via solid-state reaction. Rb7.50(1)Tl0.50(1)Ge46 and K7.62(1)Tl0.38(1)Ge45.34(3) were found to crystallize in space groups Pm[3 with combining macron]n and Ia[3 with combining macron]d with lattice parameters of a = 10.81559(7) Å and a = 21.4290(2) Å, respectively. Theoretical calculations indicated metallic features based on the calculation models of Rb7Tl1Ge46 and K7Tl1Ge46 in the space group of Pm[3 with combining macron]. The densities of states at the Fermi level were predominantly determined by the Ge s and Ge p orbitals of Rb7Tl1Ge46 and K7Tl1Ge46.

Graphical abstract: New clathrates of Rb7.50(1)Tl0.50(1)Ge46 and K7.62(1)Tl0.38(1)Ge45.34(3)

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Publication details

The article was received on 06 Jun 2016, accepted on 04 Aug 2016 and first published on 05 Aug 2016


Article type: Paper
DOI: 10.1039/C6RA14614G
Author version available: Download Author version (PDF)
Citation: RSC Adv., 2016,6, 75269-75276
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    New clathrates of Rb7.50(1)Tl0.50(1)Ge46 and K7.62(1)Tl0.38(1)Ge45.34(3)

    H. Zhang, G. Mu, F. Huang and X. Xie, RSC Adv., 2016, 6, 75269
    DOI: 10.1039/C6RA14614G

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