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Structural evolvement and thermoelectric properties of Cu3-xSnxSe3 compounds with diamond-like crystal structures

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Fan,  Jing
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schnelle,  Walter
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Antonyshyn,  Iryna
Iryna Antonyshyn, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Veremchuk,  Igor
Igor Veremchuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Carrillo-Cabrera,  Wilder
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Fan, J., Schnelle, W., Antonyshyn, I., Veremchuk, I., Carrillo-Cabrera, W., Shi, X., et al. (2014). Structural evolvement and thermoelectric properties of Cu3-xSnxSe3 compounds with diamond-like crystal structures. Dalton Transactions, 43(44), 16788-16794. doi:10.1039/c4dt01457j.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-9888-1
Abstract
Polycrystalline samples of Cu3-xSnxSe3 were synthesized in the composition range x = 0.87-1.05. A compositionally induced evolvement from tetragonal via cubic to monoclinic crystal structures is observed, when the composition changes from a Cu-rich to a Sn-rich one. The Cu3-xSnxSe3 materials show a metal-to-semiconductor transition with increasing x. Electronic transport properties are governed by the charge-carrier concentration which is well described by a linear dispersion-band model. The lattice component of the thermal conductivity is practically independent of x which is attributed to the opposite influence of the atomic ordering and the inhomogeneous distribution of the Cu-Se or Sn-Se bonds with different polarities in the crystal structure. The highest thermoelectric figure of merit ZT of 0.34 is achieved for x = 1.025 at 700 K.