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DFT Analysis of Ba2NbRhO6: A Promising Double Perovskite for Sustainable Energy Applications
Our study employed the full-potential linearized augmented plane wave (FP-LAPW)
approach within the density functional theory (DFT) framework to examine the fundamental …
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
This study uses density functional theory (DFT) within the WIEN2k computational framework
to explore the structural, elastic, and optoelectronic properties of cubic perovskite …
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
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 …
Al x Ga1− x N alloys, utilizing first‐principles density functional theory (DFT) calculations. By …