Search Results - "GHEBOULI, M A"
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Ab-initio Study of structural, elastic, electronic and optical properties of hexahalometallate single crystals K2XBr6(X = Se, Pt)
Published in Scientific reports (18-05-2022)“…Some physical properties of hexahalometallate K 2 XBr 6 (X = Se, Pt) were computed in the zinc blend structure using GGA-PBESOL. The cell constant of K 2 SeBr…”
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Prediction study of structural, thermal, and optical characterization of Co0.6Zn0.4Fe2O4 cubic spinel synthesized via sol–gel method for energy storage
Published in Journal of the Korean Physical Society (2024)“…In this comprehensive study, we synthesized Co 0.6 Zn 0.4 Fe 2 O 4 cubic spinel via the sol–gel method and characterized its structural, thermal, and optical…”
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Study of the Structural, Elastic, Electronic and Optical Properties of the Ternary Acetylides A2MC2 (A = Na, K) and (M = Pb, Pt)
Published in Journal of the Korean Physical Society (01-11-2019)“…We studied the ternary acetylides A 2 MC 2 (A = Na, K) and (M = Pb, Pt) with trigonal structures by using the density functional theory (DFT) as implemented in…”
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The kinetics of precipitation in Al-2.4 wt% Cu alloy by Kissinger, Ozawa, Bosswel and Matusita methods
Published in Physica. B, Condensed matter (15-05-2011)“…The isothermal and non-isothermal ageing of an Al-2.4 wt% Cu alloy have been studied using X-ray diffraction analysis and differential scanning calorimetry…”
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Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) under pressure effect
Published in Solid state sciences (01-07-2012)“…Some physical properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) have been investigated using pseudopotential plane-wave method based on the density…”
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Prediction study of the elastic and thermodynamic properties of the SnMg2O4, SnZn2O4 and SnCd2O4 spinel oxides
Published in Computational materials science (01-07-2012)“…► SnB2O4 compounds have been investigated using FP-L/APW method. ► The elastic constants and related properties have been predicted. ► The pressure dependence…”
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Structural, elastic, electronic and lattice dynamical properties of III-P quaternary alloys matched to AlP
Published in Materials science in semiconductor processing (01-06-2013)“…We report a detailed study of the compositional dependence of the structural, elastic, electronic and dynamical properties of the In1−x−yAlxGayP quaternary…”
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Structural, Elastic, Electronic and Optical Properties of LaOAgS-Type Silver Fluoride Chalcogenides: First-Principles Study
Published in Journal of electronic materials (01-07-2017)“…First-principles density functional calculations were performed to investigate the structural parameters, elastic moduli and related properties, electronic…”
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Electronic structure and lattice dynamics of CaxMg1−xS in the rock-salt phase
Published in Materials science in semiconductor processing (01-02-2014)“…Electronic band structure and lattice dynamical properties of CaxMg1−xS alloys in the rock-salt phase have been investigated. The calculations are performed in…”
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Prediction study of the structural, elastic, electronic, dynamic, optical and thermodynamic properties of cubic perovskite BiGaO3
Published in Bulletin of materials science (01-09-2022)“…Some fundamental physical properties of BiGaO 3 were investigated under pressure and temperature effect using GGA and LDA. The effect of orientation on Debye…”
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Effect of functional on structural, elastic stability, optoelectronic and thermoelectric characteristics of semiconducting MgX2Se4 (X = Lu, Y) spinels
Published in Bulletin of materials science (18-05-2024)“…Effect of functional on structural, elastic, optoelectronic and thermoelectric characteristics of semiconducting MgX 2 Se 4 (X = Lu, Y) spinels has been…”
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First-principles calculations on structural, elastic, electronic, optical and thermal properties of CsPbCl3 perovskite
Published in Physica. B, Condensed matter (15-04-2011)“…The structural, elastic, electronic, optical and thermal properties of the semiconductor perovskite CsPbCl3 were investigated using the pseudo-potential plane…”
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First-principles calculations on elastic, electronic and optical properties for the alkaline platinum hydrides A2PtH6 (A=K, Rb and Cs)
Published in Materials science in semiconductor processing (01-06-2013)“…The alkaline platinum hydrides are considered the most promising as hydrogen storage materials. The alloying ability of crystal, elastic constants and related…”
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Structural, elastic, electronic, optical and thermodynamic properties of KMgH3
Published in Solid state sciences (01-03-2011)“…The structural, elastic, electronic, optical and thermodynamic properties of the cubic perovskite-type hydride KMgH3 have been investigated using…”
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First-principles calculations of structural, electronic and optical properties of BaGaXH (X=Si, Ge, Sn)
Published in Materials science in semiconductor processing (01-12-2013)“…The structural, elastic, electronic and optical properties of the gallium monohydrides BaGaXH (X=Si, Ge, Sn) have been investigated by means of first…”
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Prediction study of structural, electronic and optical properties of 4C16H10Br2O2 Bis (m-bromobenzoyl) methane crystals
Published in Biochemistry and biophysics reports (01-03-2024)“…By first-principles calculations with density functional theory and a pseudopotential approach, the structural, electronic, and optical properties of the…”
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Predictive physical study of two different crystalline forms of glucose
Published in Biochemistry and biophysics reports (01-03-2021)“…The GGA functional PW91 were used in order to predict the structural, electronic, optical and elastic properties of α and β of d- Glucose. Such compounds, in…”
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Effect of temperature and glass content on crystalline phases in porcelain sintered with recovered automotive glass
Published in Heliyon (01-12-2023)“…In the pursuit of sustainable porcelain production, this research examines the potential of using recovered automotive glass as a substitute for traditional…”
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Lattice dynamics and thermal properties of CaxMg1−xS ternary alloys
Published in Computational materials science (01-03-2013)“…► Temperature dependence of entropy and heat capacities in CaxMg1−xS mixed crystals. ► Compositional dependence of optical phonon modes in CaxMg1−xS mixed…”
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