Spin-polarized analysis of the magneto-electronic, mechanical and optical response of double perovskites Cs2XCeI6 (X= Li, Na): A DFT study
Magnetic double perovskites have garnered significant interest due to their unique magnetic
properties and are promising candidates for various spintronic applications. Spin-polarized …
properties and are promising candidates for various spintronic applications. Spin-polarized …
First-principles analysis to assess the solar water splitting and hydrogen storage capabilities of Cs2XGaH6 (X= Al, Na)
Hydrogen storage has gained popularity recently due to its advantages as an energy
source. Research on hydrogen storage applications primarily focuses on evaluating the …
source. Research on hydrogen storage applications primarily focuses on evaluating the …
A spin-polarized analysis of the half-metallicity, mechanical, structural and optoelectronic attributes of full-Heusler XVCo 2 (X= B and P) alloys
Cobalt-based Heusler alloys possess high Curie temperatures with half-metallic
characteristics, which make them excellent candidates for spintronic applications. These …
characteristics, which make them excellent candidates for spintronic applications. These …
The effect of compressional strain on the physical attributes of Rb3TlCl6 double perovskites: First-principles predictions
Bandgap engineering provides diverse modifications in semiconducting materials which
leads to a wide range of technological applications. In this work, we have employed the …
leads to a wide range of technological applications. In this work, we have employed the …
The Ferromagnetic Character, Mechanical and Optoelectronic Attributes of Rubidium-Based Rb2NaMoX6 (X = Br, I) Double Perovskites: Spin-Polarized …
Magnetic materials possess the capability to generate magnetic fields, which facilitates the
effective conversion of energy, storage of information, and transmission in contemporary …
effective conversion of energy, storage of information, and transmission in contemporary …
A precise prediction for the hydrogen storage ability of perovskite XPH3 (X= Li, Na, K) hydrides: First-principles study
Hydrogen storage remains a significant barrier to creating a sustainable hydrogen economy,
as many current materials fail to meet the high safety, efficiency, and capacity requirements …
as many current materials fail to meet the high safety, efficiency, and capacity requirements …
The half-metallicity, thermoelectric and optoelectronic attributes of K2CeB'X6 (B'= Ag, Cu & X= Cl, Br) for spintronics and renewable energies: A spin-polarized DFT …
The distinctive electronic characteristics of half-metallic materials make them exceptional as
they pave the way for innovations in spintronics and other magnetic fields. We predict the …
they pave the way for innovations in spintronics and other magnetic fields. We predict the …
The prediction of hydrogen storage capacity and solar water splitting applications of Rb2AlXH6 (X= In, Tl) perovskite halides: A DFT study
In industrial applications, photocatalytic materials are extremely influential as these
materials have the ability to utilize solar energy more efficiently. For this purpose double …
materials have the ability to utilize solar energy more efficiently. For this purpose double …
[HTML][HTML] An ab initio study to investigate the physical properties of CsEuX3 (X= Cl, Br, and I) using different Exchange-Correlation potentials
Several exchange–correlation potentials within the framework of Density Functional Theory
(DFT) were used to study the structural, electronic, magnetic, optical, and thermoelectric …
(DFT) were used to study the structural, electronic, magnetic, optical, and thermoelectric …
A DFT-based determination of the physical attributes of Cs2InBiF6 fluoroperovskite by using multiple potentials
Cesium-based halide double perovskites have wide range of applications, and have
emerged as a promising class of materials in the field of photovoltaic, optoelectronics and …
emerged as a promising class of materials in the field of photovoltaic, optoelectronics and …