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Theoretical investigation on the electronic and thermoelectric properties of RuSb2Te compound

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Abstract

The skutterudites are an excellent candidate for thermoelectric materials used in mechanic free heat pump and electric generator. Using the ab initio density functional theory we have calculated the electronic band structure and thermoelectric properties of skutterudite RuSb2Te. RuSb2Te compound belongs to an indirect band gap semiconductor. The density of states has a sharp upturn at the conduction band edge and is very low at the valence band top. This feature suggests that Seebeck coefficient is larger for n doped than for p doped RuSb2Te compound. The calculated Seebeck coefficient confirms this trend. It is in a qualitative agreement with the experiments if the temperature is not too high.

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Authors and Affiliations

  1. Department of Physics, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, P.R. China

    Shi Kong & Daning Shi

  2. National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing, 210093, P.R. China

    Weiyi Zhang

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  1. Shi Kong
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  2. Weiyi Zhang
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  3. Daning Shi
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Correspondence to Shi Kong.

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Kong, S., Zhang, W. & Shi, D. Theoretical investigation on the electronic and thermoelectric properties of RuSb2Te compound. Eur. Phys. J. B 86, 452 (2013). https://doi.org/10.1140/epjb/e2013-40335-5

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  • DOI: https://doi.org/10.1140/epjb/e2013-40335-5

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