Structural, electronic and thermoelectric properties of PbS, PbSe and their ternary alloy PbSe1−xSx

Asma Zair, Badr-Eddine Nabil Brahmi () and Smaine Bekhechi ()
Additional contact information
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

International Journal of Modern Physics C (IJMPC), 2023, vol. 34, issue 10, 1-13

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.

Keywords: Lead chalcogenide; DFT; structural properties; electronic properties; thermoelectric properties (search for similar items in EconPapers)
Date: 2023
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0129183123501309
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:ijmpcx:v:34:y:2023:i:10:n:s0129183123501309

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0129183123501309

Access Statistics for this article

International Journal of Modern Physics C (IJMPC) is currently edited by H. J. Herrmann

More articles in International Journal of Modern Physics C (IJMPC) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().