M. Saïd
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View article: Atomic-scale control of electronic states in polar 2D oxyhalides via Br-site defects
Atomic-scale control of electronic states in polar 2D oxyhalides via Br-site defects Open
Defect engineering is a powerful approach for tuning the physical properties of two-dimensional materials, enabling control over their electronic, optical, and quantum behavior for applications in nanoelectronics, optoelectronics, and ener…
View article: Optoelectronic properties of CdSe/ZnSe and ZnSe/CdSe core/shell spheroidal prolate quantum dots through the geometrical parameters and dielectric oxide matrix: A theoretical investigation
Optoelectronic properties of CdSe/ZnSe and ZnSe/CdSe core/shell spheroidal prolate quantum dots through the geometrical parameters and dielectric oxide matrix: A theoretical investigation Open
View article: Impact of the applied electric field on the optical absorption coefficient in Ge/Si1-xGex step quantum well (SQW)
Impact of the applied electric field on the optical absorption coefficient in Ge/Si1-xGex step quantum well (SQW) Open
In the present work, we theoretically investigated the impact of quantum well width and electric field on the intersubband optical absorption coefficient (OACs) of Ge/Si1-xGex step quantum well (SQW). The calculation is made within the fra…
View article: Machine learning algorithms for predicting the photoionization cross section of CdS/ZnSe core/shell spherical quantum dots surrounded by dielectric matrices
Machine learning algorithms for predicting the photoionization cross section of CdS/ZnSe core/shell spherical quantum dots surrounded by dielectric matrices Open
View article: Estimating olive leaf traits from spectrometer data using PROSPECT inversion methods with variable Refractive Index
Estimating olive leaf traits from spectrometer data using PROSPECT inversion methods with variable Refractive Index Open
View article: Univariate and multivariate imputation methods evaluation for reconstructing climate time series data: A case study of Mosul station-Iraq
Univariate and multivariate imputation methods evaluation for reconstructing climate time series data: A case study of Mosul station-Iraq Open
Comprehensive climate time series data is indispensable for monitoring the impacts of climate change. However, observational datasets often suffer from data gaps within their time series, necessitating imputation to ensure dataset integrit…
View article: Theoretical investigation of optoelectronic properties in PbS/CdS core/shell spherical quantum dots under the effect of the electric field intensity, hydrogenic impurity and geometric parameters
Theoretical investigation of optoelectronic properties in PbS/CdS core/shell spherical quantum dots under the effect of the electric field intensity, hydrogenic impurity and geometric parameters Open
In this paper, we theoretically investigated the combined effects of the external electric field (EF) strength and the geometric parameters on the linear, nonlinear and total dielectric functions as well as the effective dielectric functio…
View article: Structural, Electronic and Optical Properties of Sc<sub>x</sub>Al<sub>1-x</sub>N alloys within DFT Calculations
Structural, Electronic and Optical Properties of Sc<sub>x</sub>Al<sub>1-x</sub>N alloys within DFT Calculations Open
Structural, electronic and optical properties of Sc-based aluminum-nitride alloy have been carried out with first-principles methods using both local density approximation (LDA) and Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. This lat…
View article: Theoretical modeling of nonlinear optical properties in spheroidal CdTe/ZnTe core/shell quantum dot embedded in various dielectric matrices
Theoretical modeling of nonlinear optical properties in spheroidal CdTe/ZnTe core/shell quantum dot embedded in various dielectric matrices Open
The theoretical investigation of the electronic and nonlinear optical properties in spheroid-shaped CdTe/ZnTe core/shell quantum dots (CSQDs) embedded into two commonly adopted dielectric matrices (PVA, SiO2) is done in the framework of th…
View article: Electronic band structures and optical properties of 2D XOF (X = Ga or In) oxyfluoride monolayers using density functional theory and GW approximation
Electronic band structures and optical properties of 2D XOF (X = Ga or In) oxyfluoride monolayers using density functional theory and GW approximation Open
The class of two-dimensional oxyfluoride monolayers is currently considered one of the most attractive nanomaterials for enhancing design and pushing the limits of different cutting-edge technologies. Two-dimensional semiconductor material…
View article: Numerical modelling of electronic and optical properties for different sizes of CdSe/ZnS quantum dots under temperature and hydrostatic pressure effects
Numerical modelling of electronic and optical properties for different sizes of CdSe/ZnS quantum dots under temperature and hydrostatic pressure effects Open
In his paper, the electronic and optical properties of different sizes of CdSe/ZnS quantum dots (QDs) are theoretically investigated. The energy eigenvalues and wave functions dependence on QD dimension, temperature and pressure are calcul…
View article: Effect of dielectric mismatch on impurity binding energy, photoionization cross-section and stark shift of CdS/ZnSe core shell spherical quantum dots
Effect of dielectric mismatch on impurity binding energy, photoionization cross-section and stark shift of CdS/ZnSe core shell spherical quantum dots Open
The variational approach has been used to investigate theoretically the effects of the dot radius and electric filed strength on binding energy (BE), Stark-shift and photoionization-cross section (PICS) of donor impurity confined in the (C…
View article: First-principles study of electronic and optical properties of novel 2D TiOS monolayer and bilayer—Dimensionality reduction opens up a band gap in TiOS
First-principles study of electronic and optical properties of novel 2D TiOS monolayer and bilayer—Dimensionality reduction opens up a band gap in TiOS Open
The finding of advanced functional materials with superior properties to existing ones to develop cutting-edge technologies for societal advancement is indispensable. We identify a new two-dimensional (2D) TiOS, which opens up a band gap d…
View article: Hydration Mechanisms of Tungsten Trioxide Revealed by Water Adsorption Isotherms and First-Principles Molecular Dynamics Simulations
Hydration Mechanisms of Tungsten Trioxide Revealed by Water Adsorption Isotherms and First-Principles Molecular Dynamics Simulations Open
WO3 is one of the most interesting materials for photocatalysis due to its optical absorption in UV-vis, good charge carrier transport, and stability against photocorrosion. A detailed knowledge of the hydration state of WO3 is indispensab…
View article: First-Principles Modeling of Dye Anchoring on (001) γ-Monoclinic WO<sub>3</sub> Surfaces: The Role of Oxygen Vacancies
First-Principles Modeling of Dye Anchoring on (001) γ-Monoclinic WO<sub>3</sub> Surfaces: The Role of Oxygen Vacancies Open
International audience
View article: Frustrated Antiferromagnetic Triangular Lattice Withdzyaloshinskii-Moriya Interaction: Ground States, Spin Waves, Skyrmion Crystal, Phase Transition
Frustrated Antiferromagnetic Triangular Lattice Withdzyaloshinskii-Moriya Interaction: Ground States, Spin Waves, Skyrmion Crystal, Phase Transition Open
View article: Study of Skyrmions Stability in Strained Vte2 Monolayer Usingdft Calculations and Monte-Carlo Simulations
Study of Skyrmions Stability in Strained Vte2 Monolayer Usingdft Calculations and Monte-Carlo Simulations Open
View article: Electronic Properties of Wurtzite GaN, InN and their Ternary Alloys InxGa1-XN (0 < X < 1): A Comparative Study Using Different Methods
Electronic Properties of Wurtzite GaN, InN and their Ternary Alloys InxGa1-XN (0 < X < 1): A Comparative Study Using Different Methods Open
The alloy composition dependence of the energy band-gap at high-symmetry Γ point in the Brillouin zone and the longitudinal and transversal electron effective masses is examined and discussed. Comparison between the results obtained from t…
View article: Effect of halogenation on the optical and electronic properties of tetrathienoanthracene and tetrathionoacridine derivatives: A DFT study
Effect of halogenation on the optical and electronic properties of tetrathienoanthracene and tetrathionoacridine derivatives: A DFT study Open
View article: Modelization of electrical and optical characteristics of short-wave infrared type I InGaAsBi/InGaAs/InP quantum wells p-i-n detector
Modelization of electrical and optical characteristics of short-wave infrared type I InGaAsBi/InGaAs/InP quantum wells p-i-n detector Open
In the present work, we will exhibit a theoretical analysis and optimization of electrical and optical characteristics of a short-wave infrared p-i-n detector closely lattice matched to conventional (001) InP substrate by the use of quater…
View article: Tight-binding Ising modeling of the interplay between bulk ordering and surface segregation in Pt-Ag nanoalloys
Tight-binding Ising modeling of the interplay between bulk ordering and surface segregation in Pt-Ag nanoalloys Open
View article: A theoretical investigation of the effect of fluorination and bromination on the optoelectronic properties of tetrathienophenazine derivatives
A theoretical investigation of the effect of fluorination and bromination on the optoelectronic properties of tetrathienophenazine derivatives Open
View article: Optical Gain and Radiative Current Density in Strain Compensated GaAsP/GaAsBi/GaAsP QWs Laser Structure
Optical Gain and Radiative Current Density in Strain Compensated GaAsP/GaAsBi/GaAsP QWs Laser Structure Open
International audience
View article: Structural, electronic and magnetic properties of the Fe8−Mn Rh8 compound: A density functional study
Structural, electronic and magnetic properties of the Fe8−Mn Rh8 compound: A density functional study Open
View article: Dielectric environment effect on linear and nonlinear optical properties for CdS/ZnS core/shell quantum dots
Dielectric environment effect on linear and nonlinear optical properties for CdS/ZnS core/shell quantum dots Open
The eigenvalues, transition energy, the linear and nonlinear dielectric functions have been numerically investigated for CdS/ZnS spherical core/shell quantum dots embedded in various dielectric matrices. The evaluation was carried out for …
View article: Theoretical investigation on the third order nonlinear optical susceptibility in CdS/ZnS/CdS/ZnS core/shell/well/shell quantum dots for optoelectronic applications
Theoretical investigation on the third order nonlinear optical susceptibility in CdS/ZnS/CdS/ZnS core/shell/well/shell quantum dots for optoelectronic applications Open
In this paper, a detailed study on the third order nonlinear optical susceptibility for quadratic electro-optic effects for CdS/ZnS/CdS/ZnS core/shell/well/shell spherical quantum dots is realized. Electron energies and corresponding funct…
View article: Quadratic optical effects in ZnS/CdS/ZnS quantum dot-quantum well
Quadratic optical effects in ZnS/CdS/ZnS quantum dot-quantum well Open
The third order nonlinear optical susceptibility is investigated within the frame work of the effective-mass approximation, for the ZnS/CdS/ZnS quantum dot-quantum well. The numerical results revealed that the position and the intensity of…
View article: Chemical ordering and surface segregation in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si39.svg"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">Ni</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>1</mml:mn> <mml:mo>-</mml:mo> <mml:mi>c</mml:mi> </mml:mrow> </mml:msub> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">Pt</mml:mi> </mml:mrow> <mml:mrow> <mml:mi>c</mml:mi> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> system: A theoretical study from the alloys to the nanoalloys
Chemical ordering and surface segregation in system: A theoretical study from the alloys to the nanoalloys Open
View article: An ab initio study of the ferroelectric In2Se3/graphene heterostructure
An ab initio study of the ferroelectric In2Se3/graphene heterostructure Open