DFT Analysis of Ba2NbRhO6: A Promising Double Perovskite for Sustainable Energy Applications

S Belhachi, S Al-Qaisi, S Samah, H Rached… - Journal of Inorganic and …, 2024 - Springer
Our study employed the full-potential linearized augmented plane wave (FP-LAPW)
approach within the density functional theory (DFT) framework to examine the fundamental …

Investigating Structural and Electronic Features, Band Gap Modulation, and Optical Absorption in ASnCl₃ (A= Na, K) Perovskites for Optoelectronic Applications

DR Lawati, J Khan, A Dutta, B Akila, N Algethami… - Solid State …, 2025 - Elsevier
This study uses density functional theory (DFT) within the WIEN2k computational framework
to explore the structural, elastic, and optoelectronic properties of cubic perovskite …

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 …