Electronic structure and optoelectronic behavior of MgPbP2 chalcopyrite

S Morsli, M Caid, D Rached, H Rached… - Computational …, 2021 - Elsevier
In this work, we concentrate on structural, elastic, electronic, and optical properties of MgPbP
2 compound using the full potential linearized augmented plane wave (FP-LAPW) method …

[HTML][HTML] First-principles study of lead-free double perovskites Ga2PdX6 (X= Cl, Br, and I) for solar cells and renewable energy

T Zelai, SA Rouf, Q Mahmood, S Bouzgarrou… - Journal of Materials …, 2022 - Elsevier
The double perovskites are promising for solar cells and other optoelectronic applications. In
this article, the optoelectronic, transport characteristics of new double perovskites Ga 2 PdCl …

Modifying electronic bandgap by halide ions substitution to investigate double perovskites Rb2AgInX6 (X= Cl, Br, I) for solar cells applications and thermoelectric …

NA Kattan, Q Mahmood, G Nazir, A Rehman… - Materials Today …, 2023 - Elsevier
The demand for renewable and clean energy increases the significance of perovskites and
attracts the substantial interest of the scientific community to further explore these materials …

First principle study of lead‐free double perovskites halides Rb2Pd(Cl/Br)6 for solar cells and renewable energy devices: A quantum DFT

Q Mahmood, M Younas, MGB Ashiq… - … Journal of Energy …, 2021 - Wiley Online Library
Lead‐free double perovskites are promising materials for environmental friendly
photovoltaics and other optoelectronics. In this article, optical, thermoelectric, and …

Study of optoelectronic, thermoelectric, mechanical, and thermodynamic properties of Cs2NaTlX6 (X= Cl, Br, I) for energy harvesting

F Hedhili, B Hassan, MS Rashid, M Bakr… - Current Applied …, 2023 - Elsevier
The inorganic double perovskites are remarkable materials for renewable energy which can
be realized through solar cells and thermoelectric generators. Here, we have …

Electronic and optical properties of bilayer blue phosphorus

Y Mogulkoc, M Modarresi, A Mogulkoc… - Computational Materials …, 2016 - Elsevier
We investigate the electronic and optical properties of monolayer and stacking dependent
bilayer blue phosphorus in the framework of density functional theory (DFT) and tight …

Study of optical and thermoelectric properties of ZYbI3 (Z= Rb, Cs) for solar cells and renewable energy; Modelling by density functional theory

Q Mahmood, U Hani, TI Al-Muhimeed… - Journal of Physics and …, 2021 - Elsevier
The optical and transport properties of ZYbI 3 (Z= Rb, CS) are studied systematically by
WIEN2k code. The tolerance factor scrutinized the structural stability while formation energy …

First-principles insights into the structural, mechanical, electronic, optical, and thermophysical properties of XSrBr3 (X= Na, Ga, and Tl) perovskites: Implications for …

MT Hossain, MM Hasan, S Swargo… - Materials Science in …, 2024 - Elsevier
Non-toxic halide perovskite compounds possess critical inherent and improved features for
use in optoelectronic devices. The present work summarizes the physical properties of cubic …

First principles study of electronic, optical, and thermoelectric properties of K2Pd (Cl/Br) 6 for solar cells and renewable energy

Q Mahmood, T Zelai, G Nazir, H Albalawi… - Physica …, 2022 - iopscience.iop.org
The vacancy-ordered double perovskites are extensively studied for solar cells and
thermoelectric characteristics. Herein, the electronic, mechanical, optical, and transport …

First principle study of magnesium-based chalcogenides MgLa2(S/Se)4 for solar cells and renewable energy applications

GM Mustafa, T Zelai, S Bouzgarrou, MH Alhossainy… - Applied Physics A, 2022 - Springer
Magnesium containing chalcogenides received considerable attention for solar cells.
Herein, using modified Backe and Johnson potential the electronic, characteristics of MgLa …