Synthesis and thermoelectric properties of single crystalline and polycrystalline Ba8Ga16Ge30

Abstract

Abstract Large Ba 8 Ga 16 Ge 30 single crystals were synthesized by a Ga-flux method. The single crystals were characterized by X-ray diffraction and energy-dispersive X-ray spectroscopy. The cubic structure of Ba filled type-I germanium clathrates with lattice parameter of 10.767 A has been confirmed. The Ba 8 Ga 16 Ge 30 polycrystalline sample was prepared by melting the synthesized single crystals. Thermoelectric properties of the single crystalline and polycrystalline Ba 8 Ga 16 Ge 30 samples were measured from room temperature to 773 K. The single crystalline sample shows p-type conduction, while the polycrystalline sample exhibits n-type conduction and typical heavily doped semiconducting behavior. At room temperature, the electrical conductivity of the polycrystalline sample is much higher than that of the single crystalline sample, whereas the absolute value of Seebeck coefficient of the single crystalline sample is higher than that of the polycrystalline sample. The maximum power factor for the single crystalline and polycrystalline samples reaches ∼17 μW cm −1 K −2 at 773 K and ∼10 μW cm −1 K −2 at 500 K, respectively.