Abstract
Crystallographic, thermoelectric, and mechanical properties of polycrystalline Ba8Al16Si30-based samples with type-I clathrate structure prepared by combining arc melting and spark plasma sintering methods were investigated. The major phase of the samples was a type-I clathrate with an actual Al/Si ratio of ~15/31, strongly suggesting that framework deficiency was absent or was present in very low concentration in the samples. The Hall carrier concentration n of the samples was approximately 1 × 1021 cm−3, which is lower than the values reported so far for the Ba8Al16Si30 system. Other important material parameters of the samples were as follows: the density-of-states effective mass m* = 2.3m 0, Hall mobility μ = 7.4 cm2 V−1 s−1, and the lattice thermal conductivity κ L = 1.2 W m−1 K−1. The thermoelectric figure of merit ZT reached approximately 0.4 (900 K) for a sample with n = 9.7 × 1020 cm−3. Simulation using the experimentally determined values of material parameters showed that ZT reached values >0.5 if the carrier concentration is optimized at about 3 × 1020 cm−3. Young’s, shear, and bulk moduli were estimated to be approximately 98, 39, and 117 GPa, respectively, and Poisson’s ratio was found to be 0.25 from the longitudinal and transverse velocities of sound, v L = 6038 m/s and v T = 3503 m/s, respectively, for a sample with ZT = 0.4. The coefficient of thermal expansion (CTE) ranged from approximately 8 × 10−6 K−1 to 10 × 10−6 K−1 (330–690 K), which is smaller than the values reported for Ba8Ga16Ge30 and Sr8Ga16Ge30 clathrates.
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The authors would like thank Professor Naoki Toshima of Department of Applied Chemistry for use of Xe flash analyzer. This work was supported by JST CREST and KAKENHI(C) No.22560708.
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Anno, H., Hokazono, M., Shirataki, R. et al. Crystallographic, thermoelectric, and mechanical properties of polycrystalline type-I Ba8Al16Si30-based clathrates. J Mater Sci 48, 2846–2854 (2013). https://doi.org/10.1007/s10853-012-6977-y
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DOI: https://doi.org/10.1007/s10853-012-6977-y