Is Rb2PtX6 (X = Cl, Br, and I) a promising Pb-free vacancy-ordered double perovskites for photoelectrochemical water splitting applications?

D Hemidi, T Seddik, T Benmessabih, M Batouche… - Applied Physics A, 2023 - Springer
In this work, the band structure feature, charge carrier mobility, optical properties, and
photocatalytic performance of platinum-based vacancy-ordered double perovskites …

Electronic Properties, Linear and Nonlinear Performance of KAgCh (Ch = S, Se) Compounds: A First-Principles Study

T Seddik, D Behera, M Batouche, W Ouerghui… - Crystals, 2023 - mdpi.com
In the current study, the peculiar nonlinear optical (NLO) properties of KAg Ch (Ch= S, Se)
and their structural, electronic, and thermodynamic properties are computed utilizing the FP …

[HTML][HTML] Novel Tl2GeX6 (X= Cl, Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation

RK Pingak, A Harbi, S Bouhmaidi, AZ Johannes… - Chemical Physics …, 2024 - Elsevier
This study aims to investigate the structural, mechanical, optical, electronic, and
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …

Pressure induced modulations in the optoelectronic properties of Hg2Cl2 compound: insights from the first-principle calculations

S Ghosh, J Chowdhury - Materials Science and Engineering: B, 2022 - Elsevier
Optical properties linked with various phases of Hg 2 Cl 2 crystal under ambient and
different external pressures have been explored in detail from the first-principle calculations …

Spin–orbit coupling effect on electronic, linear and nonlinear optical properties of Bi2S3 and the ternary bismuth sulfide Bi2S2.75Se0.25: Ab-initio calculations

H Ben Abdallah, W Ouerghui - Optical and Quantum Electronics, 2022 - Springer
Although the relevant properties of the bismuthinite Bi 2 S 3, it was recently approved that
the substitution of Se atoms in the Bi 2 S 3 lattice can significantly enhance its electro-optical …

[HTML][HTML] Comparative study on the influence of transparent glass substrates for antimony telluride thin films via structural and optical properties

C Krataithong, K Srichai, E Wongrat… - Journal of Science …, 2022 - Elsevier
Abstract Antimony telluride (Sb 2 Te 3) thin films were deposited on to non-and conductive-
glass substrates‒borosilicate (BRS), indium-doped tin oxide (ITO), and fluorine-doped tin …

Exploring the Multifunctional Properties of Tm‐Doped AlxGa1−xN Alloys: From Potoluminescence to Spintronics

S Belhachi, B Merabet, S Al‐Qaisi… - … Journal of Quantum …, 2024 - Wiley Online Library
This study delves into the electronic, magnetic, and optical properties of Tm‐doped wurtzite
Al x Ga1− x N alloys, utilizing first‐principles density functional theory (DFT) calculations. By …

Identification of lead-free Rb2AgBiX6 (X= Cl, Br, I) double halide perovskites for promising photovoltaic applications: First-principles investigations

MA Rehman, ZU Rehman, M Usman, N Bano… - Physica B: Condensed …, 2024 - Elsevier
This study examines double halide perovskites Rb 2 AgBiX 6 (X= Cl, Br, I) using first-
principles calculations, revealing their potential for various applications. The compounds …

DFT calculations of optoelectronic properties of cubic alloys

MS Alkhalifah, W Ouerghui - Journal of Computational Electronics, 2021 - Springer
The substitutional semiconductor obtained by doping In _ 2 O _ 3 In 2 O 3 with aluminum
metal has potential applications in high-quality gas sensors and nanoelectronic devices …

Optical properties of quaternary GaMnAsP thin layer grown by molecular beam epitaxy

W Ouerghui, M Gassoumi, L Beji, MA Maaref - Physica E: Low-dimensional …, 2021 - Elsevier
In this study, ellipsometry measurement have been used to investigate optical properties of
GaMnAsP/GaAs structure. Within the framework of the three-layer model we have estimated …