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Thermoelectric Properties of Two-Dimensional Gallium Telluride

  • Hejing Shangguan
  • Lihong HanEmail author
  • Tao Zhang
  • Ruge Quhe
  • Qian Wang
  • Shanjun LiEmail author
  • Pengfei Lu
Article
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Abstract

Phonon, electronic and thermoelectric transport properties of two-dimensional (2D) GaTe with hexagonal structure and monoclinic structure are investigated by using first-principles calculations. Stability of these structures are confirmed by phonon dispersion calculations. The hexagonal structure shows better thermoelectric properties because of its lower thermal conductivity, higher electrical conductivities and Seebeck coefficients. The maximum value of the figure of merit (ZT) for GaTe reaches 0.85 for hexagonal structure when T = 1100 K. This indicates that 2D GaTe will be useful in the field of thermoelectric applications.

Keywords

First-principles two-dimensional GaTe hexagonal structure monoclinic structure thermoelectric transport properties figure of merit (ZT

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Notes

Acknowledgments

This work was supported by the National Key Research and Development Program of China (No. 2017YFB0405100), the National Natural Science Foundation of China (No. 61675032) and the Open Program of State Key Laboratory of Functional Materials for Informatics. We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC).

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Copyright information

© The Minerals, Metals & Materials Society 2019

Authors and Affiliations

  1. 1.State Key Laboratory of Information Photonics and Optical CommunicationsBeijing University of Posts and TelecommunicationsBeijingChina
  2. 2.School of ScienceBeijing University of Posts and TelecommunicationsBeijingChina
  3. 3.College of Electrical Engineering and Information TechnologySichuan UniversityChengduChina

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