Search Results - "El Haj Hassan, F."
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Mutual alloying of XAs (X=Ga, In, Al) materials: Tuning the optoelectronic and thermodynamic properties for solar energy applications
Published in Solar energy (01-02-2014)“…[Display omitted] •Mutual alloying of XAs (X=Ga, In, Al) materials is investigated with DFT.•XAs materials are suitable for optoelectronic and solar energy…”
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Study of wurtzite and zincblende GaN/InN based solar cells alloys: First-principles investigation within the improved modified Becke–Johnson potential
Published in Solar energy (01-09-2014)“…[Display omitted] •GaN/InN based solar cells alloys are investigated with DFT for ZB and WZ phases.•Optoelectronic properties of Ga1−xInxN with different In…”
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Structural, electronic and thermodynamic properties of wide band gap MgxZn1−xO alloy
Published in Computational materials science (01-07-2007)“…Structural, electronic and thermodynamic properties of a wide band gap semiconductor alloy MgxZn1−xO have been studied using ab initio method. Calculations…”
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Phase stability and electronic properties of silver halides
Published in Phase transitions (03-04-2015)“…In this work, we study the phase stability and electronic properties of silver halides ( AgBr, AgCl and AgI) using the full-potential linearized augmented…”
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Imprinting isolated single iron atoms onto mesoporous silica by templating with metallosurfactants
Published in Journal of colloid and interface science (01-08-2020)“…[Display omitted] One of the main drawbacks of metal-supported materials, traditionally prepared by the impregnation of metal salts onto pre-synthesized porous…”
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Ground state properties and structural phase transition of beryllium chalcogenides
Published in Computational materials science (01-04-2006)“…The ground state properties and the structural phase transformation of beryllium chalcogenides (BeS, BeSe, and BeTe) have been investigated using first…”
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Computational study of AgCl and AgBr semiconductors
Published in Physica. B, Condensed matter (01-04-2007)“…We present the results of a theoretical study of the structural and optoelectronic properties of silver halides AgCl and AgBr, using the full-potential…”
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Theoretical study of III–V yttrium compounds
Published in Computational materials science (01-05-2007)“…We have performed ab initio self-consistent calculations based on the full potential linear augmented plane wave method with the generalized gradient…”
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Ab-initio study of ordered III–V antimony-based semiconductor alloys GaP1-xSbxandAlP1-xSbx
Published in Pramāṇa (2020)“…In this work, we have investigated the structural, electronic and thermodynamic properties of GaP 1 - x Sb x and AlP 1 - x Sb x ternary alloys for a number of…”
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Fundamental properties of scandium chalcogenides and their alloys: DFT study
Published in Indian journal of physics (05-09-2019)“…The full-potential linearized-augmented plane wave calculations based on density functional theory are performed to study the structural, electronic, optical…”
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First-principle calculations of the fundamental properties of CuBrxI1−x ternary alloy
Published in Molecular physics (17-11-2015)“…Ab initio full-potential linearised augmented plane wave (FP-LAPW) method within density functional theory is applied to study the effect of composition on the…”
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First principles calculations of structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and PbTe compounds
Published in Bulletin of materials science (01-08-2014)“…The structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and BeTe using full-potential linear augmented plane wave (FP-LAPW) method…”
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Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1−x ternary alloys
Published in Indian journal of physics (01-06-2018)“…In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaP x Sb 1−x ternary…”
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First-principles study of the ternary semiconductor alloys (Ga,Al)(As,Sb)
Published in Journal of alloys and compounds (04-06-2010)“…First-principles calculations are performed to study the structural, electronic, optical and thermodynamic properties of technologically important Al x Ga 1− x…”
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Density functional calculations of Pb1−xCaxSySe1−y alloys lattice matched to different substrates
Published in The Journal of physics and chemistry of solids (01-04-2012)“…Density functional calculations are performed to study the structural and electronic properties of technologically important Pb1−xCaxSySe1−y quaternary alloys…”
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First principle investigation of mercury chalcogenides and their HgSxSe1−x and HgSxTe1−x ternary alloys
Published in Computational materials science (01-02-2014)“…•mBJ scheme indicate a direct band gap for HgS, HgSe and HgTe.•HgS is found to be a semiconductor while HgSe and HgTe semi-metallic.•HgSxSe1−x alloys have a…”
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Ab initio study of the fundamental properties of HgSe, HgTe and their HgSexTe1−x alloys
Published in Physica scripta (01-12-2011)Get full text
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Theoretical calculations of the high-pressure phases of SnO2
Published in Computational materials science (01-05-2013)“…► Six phase transitions under high-pressure conditions have been found. ► We predict sum electronic properties of SnO2 under high pressure. ► The thermodynamic…”
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Structural, electronic, thermodynamic and optical properties of alkaline earth oxides MgO, SrO and their alloys
Published in Physica scripta (01-10-2010)Get full text
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Physical and dielectric properties of (Bi,Pb)-2223 superconducting samples added with BaFe12O19 nanoparticles
Published in Chemical physics letters (16-10-2020)“…[Display omitted] •These are the corrected Enhancement of the superconducting properties by the addition of nanoparticles.•The conduction mechanisms of…”
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