Unraveling essential optoelectronic and thermoelectric excellence in CsZrCuSe3 with hybrid functional and Boltzmann transport insights

Unraveling essential optoelectronic and thermoelectric excellence in CsZrCuSe3 with hybrid functional and Boltzmann transport insights

This research paper delves into the optoelectronic and thermoelectric properties of the quaternary layered selenide compound CsZrCuSe3, employing a comprehensive computational approach based on density functional theory (DFT) with the HSE06 functional and Boltzmann transport theory. CsZrCuSe3 is a q...

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Bibliographic Details
Main Authors:	Souraya Goumri-Said, Adil Alshoaibi, Sikander Azam, Rabah Khenata, Bakhtiar Ul Haq, Md. Ferdous Rahman, Mohammed Benali Kanoun
Format:	Article
Language:	English
Published:	Elsevier 2024-02-01
Series:	Results in Physics
Subjects:	Quaternary chalcogenide (CsZrCuSe3) Optoelectronic properties Thermoelectric properties Density Functional Theory (DFT) Figure of merit (ZT)
Online Access:	http://www.sciencedirect.com/science/article/pii/S2211379724000779

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