Pressure‐Induced Structural, Electronic, and Optical Properties of Lead‐Free NaGeX3 (X = F, Cl, Br, and I) Perovskites: First‐Principles Calculation
In this study, the pressure‐induced structural, electronic, and optical properties of lead‐free
inorganic Ge‐based perovskite materials NaGeX3 (X= F, Cl, Br, and I) through density …
inorganic Ge‐based perovskite materials NaGeX3 (X= F, Cl, Br, and I) through density …
Pressure-induced structural, electronic, optical, and mechanical properties of lead-free GaGeX3 (X= Cl, Br and, I) perovskites: First-principles calculation
Researchers are now focusing on inorganic halide-based cubic metal perovskites that are
not toxic as they strive to commercialize optoelectronic products and solar cells derived from …
not toxic as they strive to commercialize optoelectronic products and solar cells derived from …
First-Principles Analysis of the Effects of Halogen Variation on the Properties of Lead-Free Novel Perovskites AlGeX3 (X = F, Cl, Br, and I)
To commercialize optoelectronic products and perovskite-based solar cells, nontoxic
inorganic cubic metal halide perovskites have gained popularity. This study presents the …
inorganic cubic metal halide perovskites have gained popularity. This study presents the …
Pressure-induced investigation of structural, electronic, optical, and mechanical properties of BaCeO3
The exploration of the hydrostatic pressure effect on the characteristics of materials is
essential for various applications. Our study uses Density Functional Theory (DFT) to …
essential for various applications. Our study uses Density Functional Theory (DFT) to …
Investigating pressure-driven semiconductor-to-metal transition in lead-free perovskites AlGeX 3 (X= F, Cl, and Br): insights from first-principles calculations
In the pursuit of commercializing electronic and optoelectronic devices, researchers have
turned their attention to non-toxic inorganic cubic metal halide perovskites. This study …
turned their attention to non-toxic inorganic cubic metal halide perovskites. This study …
First-principles study on electronic, mechanical, and optical properties of pressure-induced vanadium-based perovskite KVO3
Vanadium-based compounds exhibit a variety of excellent characteristics due to their
variable oxidation states. In this study, Density Functional Theory (DFT) is performed to …
variable oxidation states. In this study, Density Functional Theory (DFT) is performed to …
Band gap engineering in lead free halide cubic perovskites GaGeX 3 (X= Cl, Br, and I) based on first-principles calculations
Lead-free inorganic Ge-based perovskites GaGeX3 (X= Cl, Br, and I) are promising
candidates for solar cell applications due to their structural, mechanical, electrical, and …
candidates for solar cell applications due to their structural, mechanical, electrical, and …
Investigating the structural, electronic, optical and thermodynamic properties of ATiO3 (A= Ba, Ca, Ra) for low-cost energy applications
The structural, optoelectronic, and thermodynamic characteristics of ATiO 3 (A= Ba, Ca, Ra)
perovskites have comprehensively been investigation first-principles based DFT …
perovskites have comprehensively been investigation first-principles based DFT …
Comparative investigations of electronic, mechanical and optical responses of Ra-doping in Barium Titanate for optoelectronic applications: A computational insight
M Moin, AW Anwar, M Babar, U Thumu, A Ali - Heliyon, 2024 - cell.com
This unique study examined the theoretical pure BaTiO 3 and doped Ra (Ba 1-x Ra x TiO 3)
impact on electronic, mechanical and optical responses were using Heydscuseria-Ernzerhof …
impact on electronic, mechanical and optical responses were using Heydscuseria-Ernzerhof …
Thermodynamic and dielectric properties of hexagonal barium titanate near the phase transitions
H Yurtseven, A Kiraci - Physica Scripta, 2024 - iopscience.iop.org
The critical behavior of the thermodynamic quantities is studied for the two phase transitions
near the transition temperatures (74 K and 222 K) in the hexagonal (h) BaTiO 3. A linear …
near the transition temperatures (74 K and 222 K) in the hexagonal (h) BaTiO 3. A linear …