Strain enhanced electronic and optical properties in Janus monolayers AsMC3 (M: Sb, Bi)

Marjaoui, Adil; Tamerd, Mohamed Ait; Zanouni, Mohamed; Diani, Mustapha

doi:10.1016/j.physb.2022.414143

Cited by 6 publications

(2 citation statements)

References 59 publications

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“…and is defined as the systems linear response to electromagnetic radiations. The Kramers-Kronig relation is utilized to obtain the real part and the imaginary part is calculated by taking summation over the electronic states [16,[46][47][48].…”

Section: Strain Modulated Optical Propertiesmentioning

confidence: 99%

Strain modulated optical properties of MoSi₂P₄ monolayer – insights from DFT

Kumavat,

Somaiya,

Sonvane

2024

Phys. Scr.

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Strain plays a very important role in tunning the properties of the materials for the desired applications. In the present work we have investigated the variation of strain on the electronic and optical properties of recently synthesized class of compound MoSi2P4 monolayer using the first principles methods. The MoSi2P4 monolayer is found to be dynamically and thermally stable at room temperature. The electronic structure of studied monolayer indicates a direct bandgap (at K-point) of 0.685 eV and 1.177 eV using the PBE and HSE06 hybrid functional, respectively. To tune the electronic band gap and optical properties, mechanical strain was applied (upto ±10%). A high optical absorption coefficient of the order of 105 cm−1 is observed. The absorption starts in the infrared and visible region covering a large part in the ultraviolet region. The absorption coefficient is found to decrease (increase) under tensile (compressive) strain. Our study indicates the potential application of MoSi2P4 monolayer in flexible optoelectronic devices for absorption and detection in the infrared, visible and ultraviolet region.

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Section: Strain Modulated Optical Propertiesmentioning

confidence: 99%

Strain modulated optical properties of MoSi₂P₄ monolayer – insights from DFT

Kumavat,

Somaiya,

Sonvane

2024

Phys. Scr.

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“…[ 28–30 ] Janus group‐IV dichalcogenide monolayered including Ge 2 SSe, SiSeS, puckered Si 2 SeS, and SnSSe monolayers have been systematically studied within the framework of first‐principles calculations. [ 31–35 ] The results show that those monolayers exhibit good thermodynamic stability, which allows them to be used in energy conversion, sensors, and optoelectronic applications. Recently, bismuth‐based 2D Janus monolayers have been successfully fabricated, [ 36 ] with Bi atomic planes stacked in between the atomic planes of Te and Cl/Br atoms.…”

Section: Introductionmentioning

confidence: 99%

Strain Engineering of the Electronic and Optical Properties of Predicted Janus CaFBr Monolayer for Potential Use in Optoelectronic Devices: A Density Functional Theory Study

Marjaoui

Tamerd

Abdellaoui³

et al. 2023

Physica Status Solidi (b)

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Herein, the biaxial strain effect is investigated on the structural, electronic, and optical properties of 1T and 1H phases of Janus CaFBr monolayer in the framework of density functional theory. It is found that both phases of the Janus CaFBr monolayer are direct semiconductors at equilibrium, with bandgaps of 3.90 and 3.55 eV for 1T and 1H phases, respectively. The thermodynamic stability is examined via cohesive energy and phonon dispersion. The bandgap decreases linearly and is nearly parabolic for 1T and 1H phases, respectively, when switching from the tensile to compressive strain with a drastic shift from direct to indirect bandgap at −10% of compressive strains. The calculated dielectric function and optical properties such as reflectivity, refractive index, extinction, and absorption coefficients enhance under biaxial with an improvement of the absorption coefficient especially in the visible and ultraviolet (UV) regions for 1H and 1T phases, respectively, which is in line with the dielectric constant. The results suggest that the Janus CaFBr monolayer might be a potential candidate for optoelectronic applications in visible/UV detection and absorption.

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Biaxial strain engineering of the electronic and optical properties of Ge2SeS monolayer: Promising for optoelectronic applications

Marjaoui

Tamerd

Diani

et al. 2022

Computational Condensed Matter

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Strain enhanced electronic and optical properties in Janus monolayers AsMC3 (M: Sb, Bi)

Cited by 6 publications

References 59 publications

Strain modulated optical properties of MoSi₂P₄ monolayer – insights from DFT

Strain modulated optical properties of MoSi₂P₄ monolayer – insights from DFT

Strain Engineering of the Electronic and Optical Properties of Predicted Janus CaFBr Monolayer for Potential Use in Optoelectronic Devices: A Density Functional Theory Study

Biaxial strain engineering of the electronic and optical properties of Ge2SeS monolayer: Promising for optoelectronic applications

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Strain enhanced electronic and optical properties in Janus monolayers AsMC3 (M: Sb, Bi)

Cited by 6 publications

References 59 publications

Strain modulated optical properties of MoSi2P4 monolayer – insights from DFT

Strain modulated optical properties of MoSi2P4 monolayer – insights from DFT

Strain Engineering of the Electronic and Optical Properties of Predicted Janus CaFBr Monolayer for Potential Use in Optoelectronic Devices: A Density Functional Theory Study

Biaxial strain engineering of the electronic and optical properties of Ge2SeS monolayer: Promising for optoelectronic applications

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Product

Resources

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Strain modulated optical properties of MoSi₂P₄ monolayer – insights from DFT

Strain modulated optical properties of MoSi₂P₄ monolayer – insights from DFT