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Synergistic Band and Defect Engineering Realize High-Efficiency CuAgSe-Alloyed Lead-Free GeTe Thermoelectrics.

Fan Feng1, Jianglong Zhu2, Xiaobo Tan1

  • 1Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu, 610064, China.

Small (Weinheim an Der Bergstrasse, Germany)
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Summary

This study enhances lead-free germanium telluride (GeTe) thermoelectric performance by alloying with CuAgSe. This strategy optimizes electrical properties and reduces thermal conductivity, achieving high efficiency.

Keywords:
band structure engineeringhierarchical defect modulationhigh conversion efficiencylead‐free GeTethermoelectrics

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Nanotechnology

Background:

  • Lead-free germanium telluride (GeTe) is a promising thermoelectric material.
  • Its performance is limited by high carrier concentrations and thermal conductivity.
  • Ge vacancies cause high carrier concentrations, while lattice structure contributes to thermal conductivity.

Purpose of the Study:

  • To optimize both electronic and phonon transport in GeTe.
  • To improve the thermoelectric performance of lead-free GeTe.
  • To develop a synergistic alloying strategy for enhanced thermoelectric materials.

Main Methods:

  • Synergistic alloying of GeTe with CuAgSe.
  • Band engineering via CuAgSe alloying to increase effective mass.
  • Defect modulation, introducing point defects, planar vacancies, and nanoprecipitates to scatter phonons.

Main Results:

  • CuAgSe alloying enhanced carrier mobility and electrical transport through band flattening and convergence.
  • Hierarchical structural defects significantly suppressed lattice thermal conductivity.
  • Achieved a peak figure of merit (zT) of 2.02 at 603 K and an average zT of 1.22 (303–803 K).

Conclusions:

  • The synergistic alloying strategy effectively co-optimizes electronic and phonon transport in GeTe.
  • Demonstrated a pathway for high-performance, lead-free thermoelectric materials.
  • A thermoelectric device achieved 6.02% conversion efficiency at a 382 K temperature difference.