M. BOUCENNA Mustapha

Prof

Directory of teachers

Department

Departement of Physics

Research Interests

Condensed matter and materials science

Contact Info

University of M'Sila, Algeria

Email : mustapha.boucenna@univ-msila.dz

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Recent Publications

2023

First-principles calculations to investigate electronic structure and optical spectra of CdxZn1-xS ternary semiconductor alloys

The structural parameters, electronic band structure and optical spectra of CdxZn1-xS (0 ≤ x ≤ 1) ternary semiconductor alloys are studied. The calculations are realized using the full potential linearized augmented plane wave method. The modified local density approximation (LDA) and generalized gradient approximation (GGA) have been used for describing the exchange-correlation potential. The obtained results for zinc-blende CdxZn1-xS ternary alloys show a general wellness with the data shown in the literature. An inspection of electronic band structure indicates that zinc-blende CdxZn1-xS are (Г→Г) direct band gap semiconductors (from x = 0 up to x = 1). A predominant ionic type of the chemical bonding in these materials has been indicated. The density of states shows various peaks in both valence and conduction localities proposing that an abundance of conditions is obtainable for occupation. The alloys affect the optical features of interest. The results obtained from the present work show that the zinc-blende CdxZn1-xS is a promettant material for photovoltaic device applications. Moreover, the alloy of interest can be used in different devices from visible to ultraviolet light.
Citation

M. BOUCENNA Mustapha, (2023), "First-principles calculations to investigate electronic structure and optical spectra of CdxZn1-xS ternary semiconductor alloys", [national] Chemical Physics Impact , Elsevier

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2022

Elastic Constants and related properties of CdxZn1-xS ternary alloys

First-principles calculations have been used so as to obtain the elastic constants and their related properties of CdxZn1-xS (0≤x≤1) ternary semiconductor alloys in the zinc-blende structure. The computations have been achieved through the full potential linearized augmented plane wave method. The exchange-correlation potential has been obtained using the Wu and Cohen-generalized gradient approximation. The obtained results are generally accordant with available experiments. The variation of the elastic constants versus the composition x has been studied. The dependence of the bulk modulus, shear modulus and [100] Young's modulus on x is found to be monotone. All studied quantities decrease monotonically with increasing x when going from ZnS to CdS.
Citation

M. BOUCENNA Mustapha, (2022), "Elastic Constants and related properties of CdxZn1-xS ternary alloys", [international] ICCESEN , Kemer-Antalya/TURKEY

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2021

Electronic structure and magnetization of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases

First-principles all electrons density-functional calculations for the band structure and magnetization of Zn1−xCoxO ternary magnetic alloys, in three phases namely zinc-blende, rocksalt and wurtzite have been reported. The computations are spin-polarized. An inspection of our electronic properties showed that the alloy system of interest exhibits a semiconducting character where the nature of the gap depends on the considered phase. An analysis of electronic charge density suggests that the bonding has a partially covalent character for ZnO which becomes weaker as far as the Co concentration increases. CoO is found to reach a total magnetization of 3 μB per cell for zinc-blende and rocksalt phases and 6 μB per cell for wurtzite phase.
Citation

M. BOUCENNA Mustapha, Souleh Kamal, Smain Tarek, Lidjici Hassan, Lagoun Bella, , (2021), "Electronic structure and magnetization of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases", [national] Optical and Quantum Electronics , Springer link

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2020

Structural parameters and optical spectra of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases

We present spin-polarized density-functional theory calculations of the structural properties and optical spectra of Zn1-xCoxO ternary alloys in the hypothetical zinc-blende, rocksalt and wurtzite structures. Our results are very accordant with those existing in the literature. Most of our findings are reported for the first time. Generally, the rocksalt structure is found to have the highest stiffness as compared to those of zinc-blende and wurtzite structures. The lattice parameters of alloys of interest vary in a non-linear way and hence do not obey to the Vegard's law. Analysis of the optical spectra shows that all optical features of interest are affected by both alloying and variation of structure giving thus novel optical properties. Moreover, it shows a good optical absorption in a wide photon energy range which seems to be more important for the rocksalt structure. The static refractive index values are reported for the different …
Citation

M. BOUCENNA Mustapha, (2020), "Structural parameters and optical spectra of Zn1-xCoxO ternary alloys with zinc-blende, rocksalt and wurtzite phases", [national] Optik , Urban & Fischer

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2019

Band structure and optical spectra of double perovskite Cs2AgBiBr6 for solar cells performance

The present study reports on the electronic band structure and optical properties of Cs2AgBiBr6 double-perovskite material using a pseudopotential plane-wave method within the generalized gradient approximation. Our results show that Cs2AgBiBr6 has a good absorption in the visible spectrum region, nevertheless, it has an indirect band gap of magnitude of 1.32 eV. This limits its application in photovoltaic's. An alternative is proposed to overcome this shortcoming.
Citation

M. BOUCENNA Mustapha, A. Menedjhi, N. Bouarissa, S. Saib, F. Mezrag, , (2019), "Band structure and optical spectra of double perovskite Cs2AgBiBr6 for solar cells performance", [national] 6th International Conference on Computational and Experimental Science and Engineering , Antalya, Turkey

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2018

Lattice properties, elastic parameters and microhardness of CdTe under hydrostatic compression

Lattice properties and elastic parameters of zinc-blende CdTe are determined from a pseudopotential
approach. The pressure dependence of the studied properties is examined and discussed. At zero
pressure, the accord between our findings and those of the literature is found to be reasonable. Upon
compression, all features of interest have shown a monotonic behavior. A larger cleavage energy in CdTe
on (110) plane has been predicted when pressure is applied. Moreover, it is found that CdTe becomes
more resistant to the transverse deformations and behaves in a brittle manner at all pressures being
considered here. Besides, our results show that the hardness becomes better under compression
reducing thus the damaging effect on the dislocations operational performance and degradation
behavior induced during the devices fabrication.
Citation

M. BOUCENNA Mustapha, N. Bouarissa, S. Saib, F. Mezrag, , (2018), "Lattice properties, elastic parameters and microhardness of CdTe under hydrostatic compression", [national] Computational Condensed Matter , Elsevier

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Microhardness and mechanical stability of CdSexTe 1-x: A pseudopotential approach

The composition dependence of the elastic constants and their related mechanical properties of CdSexTe1-x semiconducting ternary alloys have been investigated. The calculations are performed using a pseudopotential approach under a modified virtual crystal approximation that takes into account the effect of compositional disorder. A reasonably good accord is found between the present results and those available in the literature. The present findings predict that by incorporating more Se atoms into CdTe, the material system of interest becomes harder and more resistant to the transverse deformations. For all Se concentrations ranging from 0 to 1, CdSexTe1-x is predicted to be mechanically stable, to have a brittle nature and to be stiffest along the˂ 111˃ body diagonals
Citation

M. BOUCENNA Mustapha, (2018), "Microhardness and mechanical stability of CdSexTe 1-x: A pseudopotential approach", [national] Computational Condensed Matter , Elsevier

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