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Optical and Quantum Electronics
Erschienen in: Optical and Quantum Electronics 3/2024

01.03.2024

A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications

verfasst von: Abderrazak Boutramine, Samah Al-Qaisi, Malak Azmat Ali, Tahani A. Alrebdi, Afaf Khadr Alqorashi, Ajay Singh Verma, Zeesham Abbas, El Sayed Yousef, Ramesh Sharma, Muhammad Mushtaq

Erschienen in: Optical and Quantum Electronics | Ausgabe 3/2024

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Abstract

In this work, theoretical investigations were performed for the structural, elastic, optoelectronic, thermodynamic, and thermoelectric characteristics of barium ceroplatinate Ba2CePtO6 double perovskite oxide. The direct band gaps 1.518 eV and 1.385 are calculated with TB-mBJ potential, and PBE-GGA approximation. The findings of elastic constants C11, C12 and C44, ensure the mechanical stability, ductile nature, anisotropic, Debye temperature, and ionic bonding. In visible and ultraviolet spectrums, Ba2CePtO6 exhibits a high absorption coefficient (> 105 cm−1), low optical reflectivity, low electron energy loss and excellent refractive index. Finally, the thermoelectric properties are computed using BoltzTraP code. At room temperature the figure of merit has been reported as 0.84 and 0.998. Therefore, the reported results are likely to serve as an inspiration for the forthcoming experimental and theoretical investigations.
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Metadaten
Titel
A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications
verfasst von
Abderrazak Boutramine
Samah Al-Qaisi
Malak Azmat Ali
Tahani A. Alrebdi
Afaf Khadr Alqorashi
Ajay Singh Verma
Zeesham Abbas
El Sayed Yousef
Ramesh Sharma
Muhammad Mushtaq
Publikationsdatum
01.03.2024
Verlag
Springer US
Erschienen in
Optical and Quantum Electronics / Ausgabe 3/2024
Print ISSN: 0306-8919
Elektronische ISSN: 1572-817X
DOI
https://doi.org/10.1007/s11082-023-06113-9

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