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 …
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 …
[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) …
First principles investigations of Lithium based hydrides LiXH 3 (X= Al, Ga, In) for hydrogen storage applications
The investigation of hydrogen storage properties of hydride perovskites have been emerged
as great research domain in recent times. The current study focuses on the first principles …
as great research domain in recent times. The current study focuses on the first principles …
A comprehensive analysis of structural, electronic, optical, mechanical, thermodynamic, and thermoelectric properties of direct band gap Sr3BF3 (B= As, Sb) …
This study evaluates the physical properties of lead-free Sr 3 BF 3 (B= As, Sb) photovoltaic
compounds including structural, electronic, mechanical, optical, thermodynamic, and …
compounds including structural, electronic, mechanical, optical, thermodynamic, and …
Study on pressure-induced band gap modulation and physical properties of direct band gap Ca3NX3 (X= Cl, Br) for optoelectronic and thermoelectric applications
Utilizing density functional theory, we have comprehensively analyzed the structural,
electronic, mechanical, transport, and thermodynamic properties of Ca 3 NCl 3 and Ca 3 …
electronic, mechanical, transport, and thermodynamic properties of Ca 3 NCl 3 and Ca 3 …