Education Ministry Key Laboratory Of Renewable Energy Advanced Materials And Manufacturing Technologyyunnan Normal Universitykunming 650500Pr China

Laboratory of, China

Education Ministry Key Laboratory Of Renewable Energy Advanced Materials And Manufacturing Technologyyunnan Normal Universitykunming 650500Pr China

Laboratory of, China

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Wang J.,Education Ministry Key Laboratory Of Renewable Energy Advanced Materials And Manufacturing Technologyyunnan Normal Universitykunming 650500Pr China | Cheng F.,Education Ministry Key Laboratory Of Renewable Energy Advanced Materials And Manufacturing Technologyyunnan Normal Universitykunming 650500Pr China | Liu H.,Education Ministry Key Laboratory Of Renewable Energy Advanced Materials And Manufacturing Technologyyunnan Normal Universitykunming 650500Pr China | Li D.,Photoelectric Engineering Collegeyunnan Open Universitykunming 650500Pr China | And 3 more authors.
Physica Status Solidi (B) Basic Research | Year: 2015

This work is a joint experimental and theoretical study on the structural properties and thermodynamic stability of Cu-doped Ba8Ga16Sn30 single-crystalline clathrates. Different synthesis temperatures were adopted to prepare type-I and type-VIII Ba8Ga16-xCuxSn30 (x=0, 1, 2) by the Sn-flux method. Experimental results revealed that the reaction transformation temperature from type-VIII to type-I clathrates is approximately 773K, and Cu doping can increase the critical preparation temperature of type-I phase. The Cu-doped samples possess high conductivity resulting from the significant enhancement of carrier mobility. Theoretical calculation revealed that the density of states (DOS) near the Fermi level increased for Cu doping, which may lead to reduction in structural stability. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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