Investigating the potential of lead‐free double perovskite Cs2AgBiBr6 material for solar cell applications: A theoretical study
Summary Recently, Silver‐Bismuth based lead‐free double perovskite solar cells (PSCs)
have established their significance as a possible substitute for lead‐based absorber in the …
have established their significance as a possible substitute for lead‐based absorber in the …
First principles study of the structural, half-metallic ferromagnetism, magnetic, and transport properties of KXO2 (X= Pr, Nd, and Pm) hexagonal oxides
B Tariq, G Murtaza, H Ali, S Razzaq, RMA Khalil… - Solid State …, 2023 - Elsevier
The density functional theory (DFT) studies are made to calculate the electronic, magnetic,
and transport characteristics of potassium lanthanide KXO2 (X= Pr, Nd, and Pm) oxides …
and transport characteristics of potassium lanthanide KXO2 (X= Pr, Nd, and Pm) oxides …
A comparative study between GGA, WC-GGA, TB-mBJ and GGA+ U approximations on magnetocaloric effect, electronic, optic and magnetic properties of BaMnS2 …
The magnetocaloric effect, electronic, optical and magnetic properties of BaMnS 2 are
studied using the Wu-Cohen-Generalized Gradients Approximation (WC-GGA), GGA, Tran …
studied using the Wu-Cohen-Generalized Gradients Approximation (WC-GGA), GGA, Tran …
Shedding light on the structural, optoelectronic, and thermoelectric properties of pyrochlore oxides (La2Q2O7 (Q= Ge, Sn)) for energy applications: A first-principles …
This paper presents an analysis of the electronic, optical, and thermoelectric properties of
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q= Ge, Sn), based on first …
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q= Ge, Sn), based on first …
Opto-electronic, magnetic, thermodynamic and thermoelectric properties of cubic perovskite SrMnO3: a first principle based spin polarized calculation
Density functional theory (DFT) calculations have been made on cubic perovskite
compound, SrMnO 3 to investigate electronic, magnetic, optical and thermodynamic …
compound, SrMnO 3 to investigate electronic, magnetic, optical and thermodynamic …
RETRACTED ARTICLE: Electronic, thermodynamic, optical, and thermoelectric properties of Sr2RuO4 compound: Ab-initio principle
This study presents a thorough theoretical investigation into the intrinsic properties of
Sr2RuO4 material that has garnered significant attention due to its half-metallic nature …
Sr2RuO4 material that has garnered significant attention due to its half-metallic nature …
Enlightening the hydrostatic pressure variation effect on physical properties of mechanically stable La2Ge2O7 pyrochlore oxide: Insights from first principles for solar …
L Tariq, SH Mirza, MA Samhi, M Jawad, N Bano… - Physica B: Condensed …, 2025 - Elsevier
Herein this manuscript, we examine the structural, electronic, optical, elastic, mechanical,
and thermoelectric attributes of the La 2 Ge 2 O 7 under varying hydrostatic pressure (0–100 …
and thermoelectric attributes of the La 2 Ge 2 O 7 under varying hydrostatic pressure (0–100 …
Magnetic, opto-electronic, and thermodynamic properties of half-metallic double perovskite oxide, Ba2YbTaO6: a density functional theory study
Abstract Double perovskite oxide, Ba 2 YbTaO 6 (BYT), has been studied under the realm of
DFT-based calculation implemented in Wien2K code. Spin-polarized electronic and …
DFT-based calculation implemented in Wien2K code. Spin-polarized electronic and …
BaS:MnS:Sb2S5 Mixed Metal Chalcogenide Cubes: Synthesis, Characterization, and Exploring Energy Storage and Production Potential
KS Ahmad, SB Jaffri, JS Al‐Hawadi… - Applied …, 2024 - Wiley Online Library
ABSTRACT Energy‐efficient semiconducting BaS: MnS: Sb2S5 has been synthesized using
a single source precursor method. The resulting dithiocarbamate metallic sulfide has an …
a single source precursor method. The resulting dithiocarbamate metallic sulfide has an …
An extensive investigation of structural, electronic, optical, magnetic, and thermoelectric properties of NaMnAsO4 cluster by first‐principles calculations
The electronic, optical, magnetic, and thermoelectrical properties of both, the monoclinic (α‐
form) and the orthorhombic (β‐form) phases of sodium manganese (II) arsenate NaMnAsO4 …
form) and the orthorhombic (β‐form) phases of sodium manganese (II) arsenate NaMnAsO4 …