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Structural Stability and Thermoelectric Properties of CoSbS under High Pressure
Tao Wang1, Hongyu Zhu1, Hui Li2
1Key Laboratory of Low-dimensional Structural Physics and Application, Education Department of Guangxi Zhuang Autonomous Region, College of Physics and Electronic Information Engineering, Guilin University of Technology, Guilin 541004, China.
High pressure enhances the thermoelectric performance of CoSbS by optimizing electronic properties and power factor. However, lattice thermal conductivity increases due to reduced phonon scattering.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid State Chemistry
Background:
- Thermoelectric materials are crucial for energy conversion.
- Understanding material behavior under extreme conditions is vital for novel applications.
- Cobalt antimonide sulfide (CoSbS) is a potential thermoelectric material.
Purpose of the Study:
- To investigate the structural stability of CoSbS under high pressure.
- To analyze the electronic and thermoelectric properties of CoSbS under pressure.
- To explore the influence of high pressure on thermal transport properties.
Main Methods:
- In situ high-pressure X-ray diffraction.
- First-principles calculations.
- Boltzmann transport theory.
Main Results:
- CoSbS exhibits exceptional structural stability up to ~60 GPa.
- Pressure reduces the band gap, converges energy bands, and decreases carrier effective mass.
- An enhanced power factor of 88 μW cm-1 K-2 was achieved due to improved electrical conductivity and Seebeck coefficient.
- Lattice thermal conductivity increased under high pressure owing to diminished phonon scattering.
Conclusions:
- High pressure can significantly optimize the thermoelectric performance of CoSbS.
- Pressure-induced changes in electronic structure and phonon scattering are key factors.
- This study provides insights for designing high-performance thermoelectric materials under pressure.
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