Journal Article10.1016/j.mssp.2022.106577
Investigating the optoelectronic and thermoelectric nature of IrSbX (X = S, Se, and Te) TMC's semiconductors: By employing the accurate modified Becke-Johnson exchange potential
Muhammad Salman Khan,Banat Gul,Bashir Ahmad,Gulzar Khan,Shaukat Ali Khattak,Tahirzeb Khan,Muhammad Ajaz,Syed Zulfiqar,Fazal Wahab +8 more
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TL;DR: In this article , the Trans-Blaha modified Becke-Johnson potential under the framework of density functional theory was used to calculate the electronic band structures and density of states for the Iridium-based transition metal chalcogenides.
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About: This article is published in Materials Science in Semiconductor Processing. The article was published on 01 Jun 2022. The article focuses on the topics: Seebeck coefficient & Band gap.
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Citations
Electronic Structure, Optical and Thermal Response of Lead-Free RbAuBr3 and RbAuBr4 Perovskites for Renewable Energy Applications
TL;DR: In this paper , first principles calculations have been conducted to investigate the electronic structure, and optoelectronic and transport properties of lead-free RbAuBr3 and RbAAuBr4 perovskites.
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First-Principles Investigation of Structural, Electronic, Optical, and Mechanical Properties of Na-Based Fluoro-Perovskites NaXF3: (X = Ni, Co, Be, Ba)
Nazia Bibi,Abid Hussain,Shahzadi Noreen,Sara Rahman,Saira Arshad,M. Bilal Tahir,Jalil Ur Rehman +6 more
TL;DR: In this paper , several structural, electrical, optical and mechanical properties for cubic sodium-based fluoro-perovskite NaXF3 (X = Ni, Co, Be, Ba) were investigated employing density functional theory within generalized gradient approximation (GGA) and local density approximation (LDA).
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First principles-based study about electronic, optical, and transport nature of novel A2ZnSe2 (A = K and Na) materials
Muhammad U. Khan,Banat Gul,Gulzar Khan,Saubia Khalid,Shaukat Ali Khattak,Benabdellah Ghlamallah,Muhammad Ajaz,Syed Zulfiqar,Tanveer Ahmad +8 more
TL;DR: In this article , the authors used the state-of-the-art density functional theory to estimate the band gap of the cationic alkali metal-based ternary type Chalcogenides for their optoelectronic and thermoelectric properties.
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The physical properties of RbAuX (X = S, Se, Te) novel chalcogenides for advanced optoelectronic applications: An ab-initio study
TL;DR: In this paper , the properties of ternary chalcogenides were investigated in the orthorhombic structure employing the full potential linearized-augmented-plane-wave (FP-LAPW) method within the context of the density functional theory.
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References
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