Exploring novel Zn2SeX (X=S, Te) ternary chalcogenide: Studying the effect of chalcogen substitution on optoelectronic, and thermoelectric performance

Salman Khan, Muhammad; Gul, Banat; Salah Mohamed, Abdelhay; Maisarah Aziz, Siti; Abbas, Faheem

doi:10.1016/j.cplett.2024.141626

Chemical Physics Letters

2024

DOI: 10.1016/j.cplett.2024.141626

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Exploring novel Zn2SeX (X=S, Te) ternary chalcogenide: Studying the effect of chalcogen substitution on optoelectronic, and thermoelectric performance

Muhammad Salman Khan,

Banat Gul,

Abdelhay Salah Mohamed

et al.

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2024

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The electronic, optical and transport properties of BaAgMF (M = Se, Te) quaternary chalcogenides: a systematic first-principles study

Salman Khan,

Gul,

Mohamed

et al. 2024

Phys. Scr.

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Silver-based quaternary semiconductors exhibit distinctive characteristics such as an adjustable optical response and high stability in their thermoelectric nature. The first principles investigation here explains the complex relationship between the structural, optoelectric, and thermoelectric features of BaAgMF (M = Se, Te) quaternary chalcogenide. The valence band maximum and conduction band minimum were positioned at the Γ-point of BZ, resulting in a direct band gap nature. In these materials, the substitution of Se by S increases the band gap energy. The components of the complex dielectric function, including the other vital optical parameters are investigated to determine their potential usage in optoelectronic applications. Peaks in ε1(ω) decrease and approach the negative energy region for both materials, indicating metallicity. The studied materials are appropriate to be used for thermoelectric applications, as demonstrated by significant and notable thermoelectric properties. The present studies can help to understand the possible applications of these materials in advanced optoelectronic devices and pave the way for a wide range of technologies.

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The electronic, optical and transport properties of BaAgMF (M = Se, Te) quaternary chalcogenides: a systematic first-principles study

Salman Khan,

Gul,

Mohamed

et al. 2024

Phys. Scr.

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show abstract

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Exploring novel Zn2SeX (X=S, Te) ternary chalcogenide: Studying the effect of chalcogen substitution on optoelectronic, and thermoelectric performance

Cited by 1 publication

References 40 publications

The electronic, optical and transport properties of BaAgMF (M = Se, Te) quaternary chalcogenides: a systematic first-principles study

The electronic, optical and transport properties of BaAgMF (M = Se, Te) quaternary chalcogenides: a systematic first-principles study

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