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Unraveling lead-free Fr-based perovskites FrQCl3 (Q= Ca, Sr) and their pressure induced physical properties: DFT analysis for advancing optoelectronic performance
A comprehensive study of structural, electronic, elastic, and optical properties of the cubic
FrQCl 3 (Q= Ca, Sr) perovskite under pressure 0− 105 GPa has been considered …
FrQCl 3 (Q= Ca, Sr) perovskite under pressure 0− 105 GPa has been considered …
Investigating the effects of hydrostatic pressure on the physical properties of cubic Sr3BCl3 (B= As, Sb) for improved optoelectronic applications: a DFT study
A Hosen - Heliyon, 2024 - cell.com
This article explores changes in the structural, electronic, elastic, and optical properties of
the novel cubic Sr 3 BCl 3 (B= As, Sb) with increasing pressure. This research aims to …
the novel cubic Sr 3 BCl 3 (B= As, Sb) with increasing pressure. This research aims to …
[HTML][HTML] Investigation of the physical properties and pressure-induced band gap tuning of Sr3ZBr3 (Z= As, Sb) for optoelectronic and thermoelectric applications: A …
This study discusses the feasibility of diversifying the scope of application of lead-free Sr 3
ZBr 3 (Z= As, Sb) as promising materials for their enhanced electronic, mechanical, optical …
ZBr 3 (Z= As, Sb) as promising materials for their enhanced electronic, mechanical, optical …
First-principles investigation of pressure-modulated structural, electronic, mechanical, and optical characteristics of Sr3PX3 (X = Cl, Br) for enhanced …
S Joifullah, MA Hossain, M Al Yeamin… - Optical and Quantum …, 2024 - Springer
This study investigates the influence of hydrostatic pressure on structural, electronic,
mechanical and optical properties of Sr3PX3 (X= Cl and Br) compounds, by using the first …
mechanical and optical properties of Sr3PX3 (X= Cl and Br) compounds, by using the first …
A comprehensive analysis of the structural, phonon, electronic, mechanical, optical, and thermophysical properties of cubic Ca3SbX3 (X= Cl, Br): DFT-GGA and mBJ …
The current investigation employed first-principles calculation to assess the structural,
phonon, mechanical, electronic, optical, thermodynamic, and thermoelectric properties of …
phonon, mechanical, electronic, optical, thermodynamic, and thermoelectric properties of …
The incorporation of Cs and K into the crystal structure of Rb2SnBr6 double perovskite: A DFT perspective
This study aims to investigate the effects of incorporating cesium (Cs) and potassium (K) into
the crystal structure of Rb 2 SnBr 6. The structural, mechanical, and optoelectronic features …
the crystal structure of Rb 2 SnBr 6. The structural, mechanical, and optoelectronic features …
First-principles calculation to investigate electronic, optical, and mechanical properties of halide perovskite LiABr3 (A= Ca, Sr, and Ba) for optoelectronic technologies
This study thoroughly explored the physical properties of LiABr 3 (A= Ca, Sr, and Ba) cubic
perovskites using first-principles density-functional theory. The computed lattice parameters …
perovskites using first-principles density-functional theory. The computed lattice parameters …
[HTML][HTML] Novel Tl2GeX6 (X= Cl, Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation
This study aims to investigate the structural, mechanical, optical, electronic, and
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …
Insights into the pressure-dependent physical properties of cubic Ca3MF3 (M= As and Sb): First-principles calculations
Here, first-principles calculations have been employed to make a comparative study on
structural, mechanical, electronic, and optical properties of new Ca 3 MF 3 (M= As and Sb) …
structural, mechanical, electronic, and optical properties of new Ca 3 MF 3 (M= As and Sb) …
Investigation of structural, mechanical, electronic, optical, and thermodynamic properties of AXI3 (A= Li, Na; X= Ca, Sr, and Ba) halide perovskites for emerging energy …
The exceptional properties of perovskite compounds, particularly in solar and
optoelectronics technology, have gained significant attention in recent years. The …
optoelectronics technology, have gained significant attention in recent years. The …