Localized states and thermoelectric properties of vacancy-containing Sn-based clathrate compounds

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Some thermoelectric clathrate compounds possess vacancies in their frameworks. Such vacancies usually affect their band structures, which dominate their thermoelectric properties. Thus, there is a possibility of improving thermoelectric properties by the control of vacancy-structures of such materials. We have studied the vacancy-structures, thermoelectric properties, and band structures of the clathrate compounds K8Sn44□2(□: vacancy). The clathrate samples exhibited order-disorder phase transitions at 320 K, where their electrical conductivities and power factors almost increased tenfold.