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Multi-localization transport behaviour in bulk thermoelectric materials.

Wenyu Zhao1, Ping Wei2, Qingjie Zhang1

  • 1State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.

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Optimizing thermoelectric materials like In-filled CoSb3 is challenging. This study reveals multi-localization transport behaviors that independently enhance both electrical and thermal properties in bulk thermoelectric materials.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid State Chemistry

Background:

  • Simultaneously optimizing electrical and thermal transport in bulk thermoelectric materials presents a significant challenge due to conflicting material property requirements.
  • Filled skutterudites are promising thermoelectric materials, but understanding their complex transport mechanisms is crucial for performance enhancement.

Purpose of the Study:

  • To investigate the electrical and thermal transport properties of Indium-filled Cobalt Antimony (In-filled CoSb3).
  • To elucidate the underlying mechanisms responsible for simultaneous optimization of transport properties in bulk thermoelectric materials.

Main Methods:

  • Utilized X-ray absorption fine structure (XAFS) and X-ray photoemission spectroscopy (XPS) for structural and electronic characterization.
  • Performed transport measurements to evaluate electrical and thermal conductivity.
  • Conducted theoretical calculations to complement experimental findings and understand charge transport.

Main Results:

  • Identified three coexisting multi-localization transport behaviors: phonon-localized resonant scattering, accelerated electron movement, and increased density of states near the Fermi level.
  • Discovered 5p-orbital hybridization between Indium and Antimony, leading to charge transfer and enhanced Co-Sb p-d orbital hybridization.
  • Demonstrated independent optimization of electrical and thermal properties through these distinct transport mechanisms.

Conclusions:

  • The study successfully demonstrates a pathway to simultaneously optimize electrical and thermal transport in In-filled CoSb3.
  • Multi-localization transport behaviors offer a novel strategy for enhancing the performance of bulk thermoelectric materials.
  • Understanding orbital hybridization and charge transfer is key to designing advanced thermoelectric materials.