Author
Listed:
- Asma Zair
(Physics Department, Abou Bekr Belkaid, 22, Rue Abi Ayad Abdelkrim, Fg Pasteur B.P 119, Tlemcen 13000, Algeria)
- Badr-Eddine Nabil Brahmi
(Theoretical Physics Laboratory, 22, Rue Abi Ayad Abdelkrim, Fg Pasteur B.P 119, Tlemcen 13000, Algeria)
- Smaine Bekhechi
(Theoretical Physics Laboratory, 22, Rue Abi Ayad Abdelkrim, Fg Pasteur B.P 119, Tlemcen 13000, Algeria)
Abstract
Solid-state thermoelectric devices offer the possibility of exploiting waste heat from engines and power plants and converting it into electrical energy. One of the greatest challenges in the development of thermoelectric material systems is to find new thermoelectric materials with high thermoelectric figures of merit ZT. In this work, the structural, electronic and thermoelectric properties of PbSe1−xSx (x = 0, 0.25, 0.50, 0.75 and 1) semiconductors are investigated by applying density functional theory in a full potential linearized augmented plane wave method (FP-LAPW). Calculations of structural properties were completed using the generalized gradient approximation GGA of Perdew Burke and Ernzerhof PBE to get reliable lattice constant results with experimental values. The obtained electronic results show that the PbSe1−xSx material is a narrow band gap semiconductor. In addition, the thermoelectric properties are studied on the basis of the fully iterative solution of the Boltzmann transport equation. PbSe1−xSx had a high figure of merit indicating that our materials are promising candidates in thermoelectric applications.
Suggested Citation
Asma Zair & Badr-Eddine Nabil Brahmi & Smaine Bekhechi, 2023.
"Structural, electronic and thermoelectric properties of PbS, PbSe and their ternary alloy PbSe1−xSx,"
International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 34(10), pages 1-13, October.
Handle:
RePEc:wsi:ijmpcx:v:34:y:2023:i:10:n:s0129183123501309
DOI: 10.1142/S0129183123501309
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