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Article

Ab initio study of structural, electronic, phase diagram, and optical properties of CdSe_xTe_1−x semiconducting alloys

Based on the self-consistent ab initio full potential-linearized augmented plane wave method, the structural, electronic, optical, and thermodynamic properties of CdSe_xTe_{1−x
...}

S. Ouendadji, S. Ghemid, N. Bouarissa, H. Meradji… in Journal of Materials Science (2011)

Article

First principles calculations of structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and PbTe compounds

The structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and BeTe using full-potential linear augmented plane wave (FP-LAPW) method are investigated. The exchange-correlation energy wi...

N. Boukhris, H. Meradji, S. Amara Korba, S. Drablia… in Bulletin of Materials Science (2014)

Article

First-principle calculations of the structural, electronic, thermodynamic and thermal properties of ZnS_xSe_1−x ternary alloys

First-principle calculations were performed to study the structural, electronic, thermodynamic and thermal properties of ZnS_xSe_1−x ternary alloys using...

S BENDAIF, A BOUMAZA, O NEMIRI, K BOUBENDIRA, H MERADJI… in Bulletin of Materials Science (2015)

Article

Ab initio calculations of fundamental properties of SrTe_1−xO_x alloys

Structural, electronic, optical and thermodynamic properties of the SrTe_1−xO_x alloys (0 ≤ x ≤ 1) in rock-salt phase are calculated using the full poten...

J ZEROUAL, S LABIDI, H MERADJI, M LABIDI, F EL HAJ HASSAN in Bulletin of Materials Science (2016)

Article

First-principle calculations of structural, electronic, optical, elastic and thermal properties of $\hbox {MgXAs}_{2}$ ( $\hbox {X}=\hbox {Si}, \hbox {Ge}$ ) compounds

First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite $$\hbox {MgXAs...

S Cheddadi, K Boubendira, H Meradji, S Ghemid, F El Haj Hassan, S Lakel… in Pramana (2017)

Article

First-Principles Study of Structural, Electronic, Optical, and Thermal Properties of BeSiSb₂ and MgSiSb₂

Structural, electronic, optical, and thermal properties of ternary II–IV–V₂ (BeSiSb₂ and MgSiSb₂) chalcopyrite semiconductors have been calculated using the full-potential linearized augmented plane wave scheme␣i...

S. Benlamari, M. Boukhtouta, L. Taïri, H. Meradji… in Journal of Electronic Materials (2018)

Article

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaP_xSb_1−x ternary alloys

In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaP_xSb_1−x ternary alloys. Our calculations are performed with the WIEN2k code...

F. Oumelaz, O. Nemiri, A. Boumaza, S. Ghemid, H. Meradji… in Indian Journal of Physics (2018)

Chapter and Conference Paper

Modeling of Elastic and Mechanical Properties of ZnS Using Mehl Method

The elastic constants of the materials are essential to understand the matter behaviors. The accurate measurement of elastic constants is based on non-destructive and destructive methods. Theoretically, Densit...

R. Nouri, R. Belkacemi, S. Ghemid… in Computational Methods and Experimental Tes… (2019)

Article

First-principles computations of $\hbox {Y}_{x}\hbox {Ga}_{1-{x}}$ As-ternary alloys: a study on structural, electronic, optical and elastic properties

In this work, the first-principles computational study on the structural, elastic, electronic and optical properties of $$\hbox {Y}_{x}\hbox {...

S Touam, R Belghit, R Mahdjoubi, Y Megdoud, H Meradji… in Bulletin of Materials Science (2019)

Article

Phase stability and optoelectronic characteristics of Ba_1−xBe_xS: a DFT-based simulation

The structural stability and optoelectronic properties of the ternary Ba_1−xBe_xS alloys along with the pure binary compounds BaS and BeS in the rock-salt (B1) and zinc-blende (B3) phases were investigated by the d...

S. Gagui, H. Bendjeddou, H. Meradji, B. Chouial… in Journal of Molecular Modeling (2020)

Article

Ab-initio study of ordered III–V antimony-based semiconductor alloys $\mathbf{GaP }_{1-x}{} \mathbf{Sb} _{x} \mathbf{and} AlP _{1-x}{} \mathbf{Sb} _{x}$

In this work, we have investigated the structural, electronic and thermodynamic properties of GaP $_{1-x}$ ...

F Annane, H Meradji, S Ghemid, H Bendjeddou, F El Haj Hassan, Vipul Srivastava… in Pramana (2020)

Article

Structural, electronic, and optical properties of the gallium nitride semiconductor by means of the FP-LAPW method

In the present paper, the structural, electronic, and linear optical properties of different phases of the gallium nitride (GaN) have been investigated. The zinc blende and wurtzite phases of the GaN have been...

F. Z. Gasmi, R. Chemam, R. Graine, B. Boubir, H. Meradji in Journal of Molecular Modeling (2020)

Article

Structural and Electronic Properties of ZnSiAs₂, ZnSnAs₂, and Their Mixed Crystals ZnSi_{1 –} _xSn_xAs₂

In this work, the structural and electronic properties of the ternary chalcopyrite semiconductors ZnSiAs₂ and ZnSnAs₂ and their related ZnSi_{1 –} _xSn_xAs₂ quaternary alloys are presented. The density functional theo...

B. Mecheri, H. Meradji, S. Ghemid, H. Bendjeddou, M. Boukhtouta in Semiconductors (2021)

Article

DFT-Based Calculations of the Structural Stability, Electronic and Elastic Characteristics of BBi_1-xSb_x Ternary Ordered Alloys

The structural, phase stability, elastic and electronic properties of Sb-doped BBi have been systematically investigated in the zinc blende phase by means of the first-principle approach based on the density f...

A. Boumaza, S. Ghemid, H. Meradji, O. Nemiri, R. Belghit… in Journal of Electronic Materials (2021)

Article

Insight into the Structural, Magneto-electronic, and Mechanical Characteristic of Y₂MnZ (Z = Al, Ga, In) via DFT Computation

The first-principle calculations of density functional theory were used to study the structural, electronic, magnetic, mechanic, and half-metallic behavior of Y₂MnZ (Z = Al, Ga, In) within the spin generalized gr...

C. Zouaneb, F. Dahmane, T. Seddik… in Journal of Superconductivity and Novel Mag… (2022)

Article

Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaP_xBi_1−x alloys

The structural, electronic, elastic, and optical properties of ternary alloys GaP_xBi_1−x as a function of phosphorus concentration were studied using ab initio calculations. We have used the full-potential lineari...

S. Touam, N. Mounis, A. Boumaza, S. Ghemid, H. Meradji… in Journal of Molecular Modeling (2022)

Article

First-principles computational study on structural, elastic, magnetic, electronic, and thermoelectric properties of Co₂MnGe: a potential Heusler ternary compound

In this research work, first-principles computational study is performed on the structural, elastic, thermal, magnetic, electronic, and thermoelectric properties of the ternary Heusler compound Co₂MnGe in its cub...

R. Amraoui, S. Kadri, H. Meradji, M. Berkani… in The European Physical Journal B (2022)

Article

Analysis of phase stability, elastic, electronic, thermal, and optical properties of Sc_1-xY_xN via ab initio methods

Understanding the physical properties of a material is crucial to know its applicability for practical applications. In this study, we investigate the phase stability, elastic, electronic, thermal, and optical...

S. Gagui, H. Meradji, S. Ghemid, S. Naeem, Bakhtiar Ul Haq… in Journal of Molecular Modeling (2022)

Article

A study of the physical properties of GaN, GaP and their mixed ternary alloys for the applications in optoelectronics devices

In this study, for the concentrations of x=0.0, 0.25, 0.5, 0.75 and 1.0, the calculations of the physical properties of GaP_1–xN_x mixed alloys are presented. To perform these calculations, we employ WIEN2k computa...

S Gagui, H Meradji, S Ghemid, Y Megdoud, B Zaidi, B Ul Haq… in Bulletin of Materials Science (2023)

28 Result(s)

Ab initio study of structural, electronic, phase diagram, and optical properties of CdSe_xTe_1−x semiconducting alloys

First principles calculations of structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and PbTe compounds

First-principle calculations of the structural, electronic, thermodynamic and thermal properties of ZnS_xSe_1−x ternary alloys

Ab initio calculations of fundamental properties of SrTe_1−xO_x alloys

First-principle calculations of structural, electronic, optical, elastic and thermal properties of \(\hbox {MgXAs}_{2}\) ( \(\hbox {X}=\hbox {Si}, \hbox {Ge}\) ) compounds

First-Principles Study of Structural, Electronic, Optical, and Thermal Properties of BeSiSb₂ and MgSiSb₂

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaP_xSb_1−x ternary alloys

Modeling of Elastic and Mechanical Properties of ZnS Using Mehl Method

First-principles computations of \(\hbox {Y}_{x}\hbox {Ga}_{1-{x}}\) As-ternary alloys: a study on structural, electronic, optical and elastic properties

Phase stability and optoelectronic characteristics of Ba_1−xBe_xS: a DFT-based simulation

Ab-initio study of ordered III–V antimony-based semiconductor alloys \(\mathbf{GaP }_{1-x}{} \mathbf{Sb} _{x} \mathbf{and} AlP _{1-x}{} \mathbf{Sb} _{x}\)

Structural, electronic, and optical properties of the gallium nitride semiconductor by means of the FP-LAPW method

Structural and Electronic Properties of ZnSiAs₂, ZnSnAs₂, and Their Mixed Crystals ZnSi_{1 –} _xSn_xAs₂

DFT-Based Calculations of the Structural Stability, Electronic and Elastic Characteristics of BBi_1-xSb_x Ternary Ordered Alloys

Insight into the Structural, Magneto-electronic, and Mechanical Characteristic of Y₂MnZ (Z = Al, Ga, In) via DFT Computation

Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaP_xBi_1−x alloys

Correction to: Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaP_xBi_1−x alloys

First-principles computational study on structural, elastic, magnetic, electronic, and thermoelectric properties of Co₂MnGe: a potential Heusler ternary compound

Analysis of phase stability, elastic, electronic, thermal, and optical properties of Sc_1-xY_xN via ab initio methods

A study of the physical properties of GaN, GaP and their mixed ternary alloys for the applications in optoelectronics devices

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