The Experts below are selected from a list of 306 Experts worldwide ranked by ideXlab platform
B. Soudini - One of the best experts on this subject based on the ideXlab platform.
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calculation of electronic and optical properties of the Quaternary Alloys zn1 xcdxsyse1 y
Materials Chemistry and Physics, 2003Co-Authors: A. Boukortt, Hamza Abid, B. Abbar, M. Sehil, Zouaoui Bensaad, B. SoudiniAbstract:Abstract The electronic and optical properties of the II–VI semiconductors ZnS, ZnSe, CdS, CdSe and their Alloys Zn 1− x Cd x S y Se 1− y have been are investigated using the empirical pseudopotential method. For the Quaternary alloy ZnCdSSe, we have coupled the virtual crystal approximation with the pseudopotential method. The energies of the Γ , X , and L conduction valleys of the Zn 1− x Cd x S y Se 1− y Alloys as a function of y were calculated. The electronic structures of Zn 0.9 Cd 0.1 S 0.2 Se 0.8 and Zn 0.9 Cd 0.1 S 0.15 Se 0.85 Alloys were studied for lattice matching to GaAs as well as ZnSe. Also the composition dependence of the refractive index and the dielectric function of II–VI Quaternary Alloys were also calculated.
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Calculation of electronic and optical properties of the Quaternary Alloys Zn1−xCdxSySe1−y
Materials Chemistry and Physics, 2003Co-Authors: A. Boukortt, Hamza Abid, B. Abbar, M. Sehil, Zouaoui Bensaad, B. SoudiniAbstract:Abstract The electronic and optical properties of the II–VI semiconductors ZnS, ZnSe, CdS, CdSe and their Alloys Zn 1− x Cd x S y Se 1− y have been are investigated using the empirical pseudopotential method. For the Quaternary alloy ZnCdSSe, we have coupled the virtual crystal approximation with the pseudopotential method. The energies of the Γ , X , and L conduction valleys of the Zn 1− x Cd x S y Se 1− y Alloys as a function of y were calculated. The electronic structures of Zn 0.9 Cd 0.1 S 0.2 Se 0.8 and Zn 0.9 Cd 0.1 S 0.15 Se 0.85 Alloys were studied for lattice matching to GaAs as well as ZnSe. Also the composition dependence of the refractive index and the dielectric function of II–VI Quaternary Alloys were also calculated.
F. El Haj Hassan - One of the best experts on this subject based on the ideXlab platform.
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First-principles calculations of the structural, electronic and optical properties of In1−xBxAsyP1−y Quaternary Alloys lattice matched to InP and BeS
Materials Science in Semiconductor Processing, 2015Co-Authors: O. Nemiri, A. Boumaza, K. Boubendira, S. Ghemid, H. Meradji, F. El Haj HassanAbstract:Abstract The structural, electronic, and optical properties of the cubic In1−xBxAsyP1−y Quaternary Alloys lattice matched to InP and BeS have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The generalized gradient approximation (GGA) of Wu and Cohen was used as the exchange correlation potential to calculate the structural and electronic properties. In addition, the alternative GGA proposed by Engel and Vosko and the modified Becke–Johnson potential are utilized to calculate the electronic properties. The computed structural and electronic properties of the binary compounds are in good agreement with the available experimental and theoretical data. For the Alloys, non-linear variations of composition x and y with the lattice constant, bulk modulus, direct, indirect band gap, dielectric constant and refractive index are found. All the compounds are direct band gap excluding BP and BAs. The energy band gap of In1−xBxAsyP1−y Quaternary Alloys lattice matched to InP and BeS substrates is computed. Finally, the band gap of our materials is less than 3.1 eV. Thus the In1−xBxAsyP1−y Quaternary Alloys may possibly be used in visible light devices.
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First principles calculations of structural, electronic and optical properties of Zn1−xBexSeyTe1−y Quaternary Alloys
Computational Materials Science, 2014Co-Authors: A. Boumaza, O. Nemiri, K. Boubendira, S. Ghemid, H. Meradji, F. El Haj HassanAbstract:Abstract The structural, electronic and optical properties of Zn 1− x Be x Se y Te 1− y Quaternary Alloys are investigated using the full potential-linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). We used both the Wu–Cohen and the Engel–Vosko generalized gradient approximations of the exchange-correlation energy that are based on the optimization of the total energy and the corresponding potential, respectively. Some basic physical properties, such as lattice constant, bulk modulus, electronic band structures, and optical properties (dielectric constant and refractive index) are calculated, nonlinear dependence on the compositions x and y are found. In addition, the energy band gap of zinc-blende Zn 1− x Be x Se y Te 1− y Quaternary Alloys lattice matched to GaAs substrate is investigated. To our knowledge this is the first quantitative theoretical investigation on Zn 1− x Be x Se y Te 1− y Quaternary Alloys and still awaits experimental confirmations.
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Structural, electronic, optical and thermal properties of AlxGa1−xAsySb1−y Quaternary Alloys: First-principles study
Journal of Alloys and Compounds, 2010Co-Authors: F. El Haj Hassan, Andrei Postnikov, Olivier PagèsAbstract:Abstract First-principles calculations are performed to study the structural, electronic, optical and thermodynamic properties of technologically important Al x Ga 1− x As y Sb 1− y Quaternary Alloys using the full potential-linearized augmented plane wave plus local orbitals method within the density functional theory. We use both Wu–Cohen and Engel–Vosko generalized gradient approximations of the exchange-correlation energy that are based on the optimization of total energy and corresponding potential, respectively. Our investigation on the effect of composition on lattice constant, bulk modulus and band gap for pseudobinary as well as for Quaternary Alloys shows nonlinear dependence on the composition. The bowing of the fundamental gap versus composition predicted by our calculations is in very good agreement with experiments available for pseudobinary Alloys. The presented contour maps of energy band gap and lattice constants versus concentrations could be very useful for designing new structures with desired optical properties. In addition, the energy band gap and natural band offset of zinc-blende Al x Ga 1− x As y Sb 1− y Quaternary Alloys lattice matched to GaSb and InAs substrates is investigated. The obtained results show that the Quaternary Alloys of interest could be appropriate materials for designing heterostructures with desired optical and interfacial properties.
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First-principles investigation of wide-gap Quaternary Alloys Zn1−xMgxSyTe1−y
Journal of Alloys and Compounds, 2006Co-Authors: F. El Haj Hassan, Hadi AkbarzadehAbstract:Abstract We investigate the structural and electronic properties of (Zn, Mg) (S, Te) solid solutions using the full potential-linearized augmented plane wave method within density functional theory. We use the generalized gradient approximation that is based on exchange–correlation energy optimization for calculating the total energy. Moreover, the Engel–Vosko GGA formalism is applied so as to optimize the corresponding potential for band gap calculations. We study the effect of composition on lattice constant, bulk modulus and band gap for pseudobinary as well as for Quaternary Alloys which showed nonlinear dependence on the composition. The bowing of the fundamental gap versus composition predicted by our calculations is in very good agreement with experiments available for pseudobinary Alloys. In addition, the energy band gap of zinc-blende Zn 1− x Mg x S y Te 1− y Quaternary Alloys lattice matched to GaAs substrate is investigated. It should be noted that the present work is the first theoretical study of the Quaternary Alloys of interest.
A. Boukortt - One of the best experts on this subject based on the ideXlab platform.
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Cohesive properties and energy band-gap of cubic AlxGayIn1−x−yN Quaternary Alloys
Physica Scripta, 2006Co-Authors: Smail Berrah, Hamza Abid, A. BoukorttAbstract:A numerical simulation based on full-potential linearized augmented plane wave calculations is applied to study the lattice parameters and the band-gap energy of the zincblende AlxGa1−xIn1−x−yN Quaternary Alloys. The results obtained are in a good agreement with experimental and theoretical values.
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calculation of electronic and optical properties of the Quaternary Alloys zn1 xcdxsyse1 y
Materials Chemistry and Physics, 2003Co-Authors: A. Boukortt, Hamza Abid, B. Abbar, M. Sehil, Zouaoui Bensaad, B. SoudiniAbstract:Abstract The electronic and optical properties of the II–VI semiconductors ZnS, ZnSe, CdS, CdSe and their Alloys Zn 1− x Cd x S y Se 1− y have been are investigated using the empirical pseudopotential method. For the Quaternary alloy ZnCdSSe, we have coupled the virtual crystal approximation with the pseudopotential method. The energies of the Γ , X , and L conduction valleys of the Zn 1− x Cd x S y Se 1− y Alloys as a function of y were calculated. The electronic structures of Zn 0.9 Cd 0.1 S 0.2 Se 0.8 and Zn 0.9 Cd 0.1 S 0.15 Se 0.85 Alloys were studied for lattice matching to GaAs as well as ZnSe. Also the composition dependence of the refractive index and the dielectric function of II–VI Quaternary Alloys were also calculated.
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Calculation of electronic and optical properties of the Quaternary Alloys Zn1−xCdxSySe1−y
Materials Chemistry and Physics, 2003Co-Authors: A. Boukortt, Hamza Abid, B. Abbar, M. Sehil, Zouaoui Bensaad, B. SoudiniAbstract:Abstract The electronic and optical properties of the II–VI semiconductors ZnS, ZnSe, CdS, CdSe and their Alloys Zn 1− x Cd x S y Se 1− y have been are investigated using the empirical pseudopotential method. For the Quaternary alloy ZnCdSSe, we have coupled the virtual crystal approximation with the pseudopotential method. The energies of the Γ , X , and L conduction valleys of the Zn 1− x Cd x S y Se 1− y Alloys as a function of y were calculated. The electronic structures of Zn 0.9 Cd 0.1 S 0.2 Se 0.8 and Zn 0.9 Cd 0.1 S 0.15 Se 0.85 Alloys were studied for lattice matching to GaAs as well as ZnSe. Also the composition dependence of the refractive index and the dielectric function of II–VI Quaternary Alloys were also calculated.
A. Bouhemadou - One of the best experts on this subject based on the ideXlab platform.
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structural elastic electronic and lattice dynamical properties of iii p Quaternary Alloys matched to alp
Materials Science in Semiconductor Processing, 2013Co-Authors: A. Bouhemadou, B. Ghebouli, M.a. Ghebouli, M Fatmi, S Binomran, E Ucgun, H Y OcakAbstract:We report a detailed study of the compositional dependence of the structural, elastic, electronic and dynamical properties of the In1� xyAlxGayP Quaternary Alloys matched to AlP using pseudo-potential plane-wave method based on the density functional theory. The reliability and accuracy of the predicted physical properties mentioned above for In1� xyAlxGayP=AlP are tested by comparing the calculated lattice constant, elastic constants and phonon dispersion curves for the binary AlP with the available experimental and theoretical data in the literature.
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Investigation of the structural, electronic, optical, elastic, and thermodynamic properties of the zinc blende Ga1-xAlxAs1-yPy Quaternary Alloys: A DFT-Based simulation
Materials Science in Semiconductor Processing, 1Co-Authors: R. Moussa, A. Abdiche, Rabah Khenata, S. Bin-omran, R. Ahmed, Sohail Afzal Tahir, A. BouhemadouAbstract:Abstract In this work, the effect of the composition on the structural, electronic, elastic, optical and thermodynamic properties of the Ga1-xAlxAs1-yPy Quaternary Alloys are investigated using the full-potential augmented plane wave plus local orbitals (FP-APW + lo) approach in the density functional theory framework as embodied in the WIEN2k computational package. The fundamental physical properties of the cubic Ga1-xAlxAs1-yPy Quaternary Alloys, such as lattice constant, bulk modulus, energy band structure and elastic constants, are predicted for the first time. The obtained results show that the Ga1-xAlxAs1-yPy Quaternary Alloys are direct band gap semiconductors, while their parents; GaP, AlAs, and AlP binary compounds are indirect band gap semiconductors. It is found that the studied materials are of brittle character and ionic bonding nature. The static dielectric constant and static refractive index of the considered Alloys are calculated and compared with the obtained results using empirical models. Pressure and temperature dependencies of some thermodynamic parameters of the title Quaternary Alloys are also investigated and discussed.
Hamza Abid - One of the best experts on this subject based on the ideXlab platform.
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Cohesive properties and energy band-gap of cubic AlxGayIn1−x−yN Quaternary Alloys
Physica Scripta, 2006Co-Authors: Smail Berrah, Hamza Abid, A. BoukorttAbstract:A numerical simulation based on full-potential linearized augmented plane wave calculations is applied to study the lattice parameters and the band-gap energy of the zincblende AlxGa1−xIn1−x−yN Quaternary Alloys. The results obtained are in a good agreement with experimental and theoretical values.
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calculation of electronic and optical properties of the Quaternary Alloys zn1 xcdxsyse1 y
Materials Chemistry and Physics, 2003Co-Authors: A. Boukortt, Hamza Abid, B. Abbar, M. Sehil, Zouaoui Bensaad, B. SoudiniAbstract:Abstract The electronic and optical properties of the II–VI semiconductors ZnS, ZnSe, CdS, CdSe and their Alloys Zn 1− x Cd x S y Se 1− y have been are investigated using the empirical pseudopotential method. For the Quaternary alloy ZnCdSSe, we have coupled the virtual crystal approximation with the pseudopotential method. The energies of the Γ , X , and L conduction valleys of the Zn 1− x Cd x S y Se 1− y Alloys as a function of y were calculated. The electronic structures of Zn 0.9 Cd 0.1 S 0.2 Se 0.8 and Zn 0.9 Cd 0.1 S 0.15 Se 0.85 Alloys were studied for lattice matching to GaAs as well as ZnSe. Also the composition dependence of the refractive index and the dielectric function of II–VI Quaternary Alloys were also calculated.
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Calculation of electronic and optical properties of the Quaternary Alloys Zn1−xCdxSySe1−y
Materials Chemistry and Physics, 2003Co-Authors: A. Boukortt, Hamza Abid, B. Abbar, M. Sehil, Zouaoui Bensaad, B. SoudiniAbstract:Abstract The electronic and optical properties of the II–VI semiconductors ZnS, ZnSe, CdS, CdSe and their Alloys Zn 1− x Cd x S y Se 1− y have been are investigated using the empirical pseudopotential method. For the Quaternary alloy ZnCdSSe, we have coupled the virtual crystal approximation with the pseudopotential method. The energies of the Γ , X , and L conduction valleys of the Zn 1− x Cd x S y Se 1− y Alloys as a function of y were calculated. The electronic structures of Zn 0.9 Cd 0.1 S 0.2 Se 0.8 and Zn 0.9 Cd 0.1 S 0.15 Se 0.85 Alloys were studied for lattice matching to GaAs as well as ZnSe. Also the composition dependence of the refractive index and the dielectric function of II–VI Quaternary Alloys were also calculated.
