Theoretical investigation on the electronic and thermoelectric properties of RuSb2Te compound

  • Shi Kong
  • Weiyi Zhang
  • Daning Shi
Regular Article


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.


Solid State and Materials 


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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  1. 1.Department of PhysicsNanjing University of Aeronautics and AstronauticsNanjingP.R. China
  2. 2.National Laboratory of Solid State Microstructures and Department of PhysicsNanjing UniversityNanjingP.R. China

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