MILOUD Ibrir

BOUAFIA Somia

Installation de tube en plastique d’un poteau électrique creux en métal pour l’irrigation goutte à goutte des arbres de route

TOUMI Manel

Recyclage des coquilles d'œufs

قبقوب هارون الرشيد

تأثير درجة حرارة التلدين على الخضائص البنيوية والضوئية للطبقات أكسيد النحاس المحضر بواسطة الرش الكيميائي للمحلول

بوهالي خالد

Studing the physical properties of indium dopped copper oxide thin films an photocatalysis

MOUSSAOUI Farida

تطبيق التحفيز الضوئي المرئي صبغة أزرق المثلين باستعمال طبقات رقيقة من CuO

محمدي عبدالقادر

دراسة الخصائص الفيزيائية للأكاسيد الشفافة ذات البنى النانوية

Abi Yasmine

دراسة الخصائص الضوئيىة للطبقات الرقيقة SnO2:In المحضرة بواسطة الرش المحلولي

DJAZOULI Daou

Etude des propriétés physique de CaTiO3

KEHALI Souad

Etude des propriétés physiques de SrTiO3

Outmani Manal

Etude des propriétés physiques de BaZrO3

Malek Ibtissem

Elaboration et caractérisation de polyester insaturé renforcé par des particules de MgO

BEN GEUSMIA Khawla

Elaboration et caractérisation des composites de Al15%Zn/x%AlO par la technique stir casting

بن أمهاني سمية

دراسة بععض الخواص للسبيكة Al7%wtMg المحضرة بطريقة السباكة بالتحريك والمقواة بدقائق أكسيد الألومين

ATTALLAH Mourad

مساهمة في دراسة الخصائص الفيزيائية لبعض المواد المغناطيسية

HERAIZ Hocine

Etude des propriétés structurales, électroniques et optiques des chalcopyrites de type Mg-IV-V2

REFICE Tayeb

‫دراسة الخصائص البنيوية والضوئيية لأكسيد الزنك ‫المطعم‬ بالنيكل ‬

BOUAICHAOUI Yassine

Etude des propriétés fondamentales des matériaux chalcopyrites. Application à la conversion photovoltaïque

MEHAMADI Abdelkader

Etude des couches minces à caractère magnétique

MEHAMADI Abdelkader

Etude des couches minces à caractère magnétique

HAROUD Amel

Etude par les méthodes du premier principe des propriétés stucturales, électroniques et optiques des composés binaires GaAs et InAs

KHAOUNI Reguia

Etude des propriétés physiques des alliages ternaires InxGa1-xN par la méthode mBJ-LDA

BAKHTI Meryem

Physique des matériaux intelligents "Contribution à l’étude des matériaux capteurs de niveau seuil d’azote liquide

MECHRI Djaouida

Etude ab-initio des propriétés structurales, magnétiques et thermodynamiques des alliages NiSnX (X=CoTi, Zr et Hf)

KAZOULA Yahia

Etude de couplage piézomagnétique en couche minces pour réaliser des composants magnétiques

BOUDJELLAL Samiha

Etude ab- initio des propriétés structurales, électroniques et magnétiques de Co2MnSi et Co2TiSi

In this study, zinc oxide (ZnO) thin films doped with varying amounts of magnesium (Mg) were fabricated through a sol gel process combined with spin coating. The influence of Mg incorporation on the structural, electrical, and optical behaviors of ZnO layers was thoroughly examined. X-ray diffraction confirmed that all prepared coatings exhibit a wurtzite-type hexagonal lattice with strong preferential growth along the c-axis. Within the visible spectrum, the films demonstrated an average optical transmittance of approximately 77 %, while increasing Mg content induced a noticeable red shift in the absorption edge. Furthermore, the electronic characteristics of ZnO were investigated using UV–visible spectroscopy and optical microscopy. Complementary ab initio simulations determined a band gap of 3.2 eV, with calculated density of states in excellent agreement with the measured optical responses. These outcomes highlight the capability of ab initio methods to reliably describe the electronic properties of ZnO-based materials.

Citation

MILOUD Ibrir , , (2025-12-09), Influence of Magnesium Incorporation on the Structural, Optical, and Electronic Properties of Chemically Synthesized ZnO Thin Films: Experimental Observations and Ab Initio Analysis, 13th Annual International Conference on Material Science and Environmental Engineering (MSEE 2025), Vol:13811, Issue:, pages:1381102-1, SPIE

The coefficient of thermal expansion (CTE) of aluminum-based alloys and the corrosion resistance are related to the microstructural parameters. The Al-13 wt.% Si alloy showed a smaller CTE than that of Al, due to the precipitation of a finely dispersed Si phase in the α-Al matrix. The difference of CTE and structures between Al matrix and Si particles produces a stress, thus increasing the dislocation density, while the Si particles improve the alloy hardness. The second part of this work is dedicated to the photo-electrochemical exploitation of CdS, n-type semiconductor for the cathodic protection of Al-13 wt.% Si alloy in seawater, one of the most corrosive media. The corrosion was significantly inhibited by short-circuiting the alloy to CdS irradiated by visible light (λ < 520 nm). The electrode potential of Al-13 wt.% Si is cathodically shifted under illumination, confirming the photo-electrochemical protection where the corrosion current density diminishes from 2.6 (in the dark) to 1.7 µA cm−2 under sunlight (103 mW cm−2).

Citation

MILOUD Ibrir , , (2025-01-05), Influence of Si on the thermal expansion behavior and photo-electrochemical protection of Al-13 wt.% Si binary casting alloy, International Journal of Metalcasting, Vol:19, Issue:3, pages:1413-1421, Springer International Publishing

We investigate the effects of non-extensivity (q), non-thermality (α), obliqueness (l z), the strength of the magnetic field (ω c), and dust grain temperature (σ d) on the basic features (viz., amplitude, width, velocity, and soliton energy) of obliquely propagating dust-acoustic solitary waves (DASWs) in a magnetized dusty plasma, which consists of highly negatively charged dust grains, Boltzmann-distributed electrons, and nonthermal non-extensive Cairns-Tsallis (CT)-distributed ions. First, we derived the expression of the CT polarization force and analyzed the combined effects of the ions' non-extensivity (q) and non-thermality (α) parameters on the magnitude (R) of this polarization force. Our results show that R strongly depends on both the q-parameter and the α-parameter. Specifically, for q< 1, the ions' non-extensivity and non-thermality weaken the polarization force, whereas for q> 1, R shifts toward higher values …

Citation

MILOUD Ibrir , , (2024-10-24), Oblique propagation of dust acoustic solitary waves in a magnetized plasma in the presence of cairns-tsallis distributed ions, Physica Scripta, Vol:99, Issue:11, pages:115603, IOP Publishing

The coefficient of thermal expansion (CTE) of aluminum-based alloys and the corrosion resistance are related to the microstructural parameters. The Al-13 wt.% Si alloy showed a smaller CTE than that of Al, due to the precipitation of a finely dispersed Si phase in the α-Al matrix. The difference of CTE and structures between Al matrix and Si particles produces a stress, thus increasing the dislocation density, while the Si particles improve the alloy hardness. The second part of this work is dedicated to the photo-electrochemical exploitation of CdS, n-type semiconductor for the cathodic protection of Al-13 wt.% Si alloy in seawater, one of the most corrosive media. The corrosion was significantly inhibited by short-circuiting the alloy to CdS irradiated by visible light (λ < 520 nm). The electrode potential of Al-13 wt.% Si is cathodically shifted under illumination, confirming the photo-electrochemical protection where the corrosion current density diminishes from 2.6 (in the dark) to 1.7 µA cm−2 under sunlight (103 mW cm−2).

Citation

MILOUD Ibrir , , (2024-06-13), Influence of Si on the thermal expansion behavior and photo-electrochemical protection of Al-13 wt.% Si binary casting alloy, International Journal of Metalcasting, Vol:18, Issue:, pages:1-9, Springer International Publishing

In the present work, thin films of ZnO co-doped with Co and Cu cations were obtained on glass substrate, combining the sol gel process and spin-coating technique. For the compound, the general chemical formula used was: Zn1-x-zCoxCuzO, [(x; z) = (0.00; 0.00), (0.02; 0.02), (0.04; 0.04) and (0.06; 0.06)]. For pure ZnO film, the surface morphology is composed by small spherical grains that present interstitial spaces, while the films obtained from the simultaneous Co and Cu insertion in the ZnO structure are more dense and interstitial spaces disappear. For all films, the X-ray diffraction patterns testify the monophasic phase formation, typical of the hexagonal structure of ZnO. In addition, the films presented preferential orientation in the (002) direction. It was demonstrated that the Zn2+ cations by Co2+ and Cu2+ cations replacement, causes relevant modifications in the lattice parameter (c), crystallite size (D)

Citation

MILOUD Ibrir , , (2023-10-11), Effect of ZnO doping co-carried out by Co–Cu on nonlinear optical properties prepared by the spin coating method, Optical and Quantum Electronics, Vol:56, Issue:1, pages:9, Springer US

The materials properties of quaternary diamond-like Li2CaGeO4 have been studied. The computations are used through the full-potential linearized augmented plane wave method within the local orbitals and ultra-soft pseudo-potentials. Calculated structural parameters are found to be accordant with those of experiment. The elastic anisotropy of the crystal under focus is visualized and discussed. The calculated elastic constants Cij can permit the determination of the macroscopic mechanical parameters of the material under focus. The low-values of bulk modulus and shear modulus indicate that the material under focus should be a soft material. The higher is the value of the Young's modulus, the stiffer is the material of interest. The material under study is found to be an H→Г indirect band gap semiconductor. The main contributions are due to the Li-p and Li-s orbitals. By increasing the temperature results in a slight decrease of the dielectric constant. The authors findings regarding the electronic and optical spectra reveal that the candidates of interest can be a promising materials in optoelectronic devices for visible and ultraviolet domains.

Citation

MILOUD Ibrir , , (2022-03-01), Study on quaternary diamond-like Li2CaGeO4 properties for optoelectronic applications, Computational Condensed Matter, Vol:30, Issue:, pages:e00646, Elsevier

Thin films of Nickel-doped ZnO have been prepared by sol-gel spin coating process. The doping concentration of Ni by weight has been adjusted as 0%, 2% and 5% .In order to examine the effect of doping on the optical properties , ZnO thin films has been characterized by UV-Vis spectroscopy, this shows Nickel doping affects the transmission in regards to the thin films and the band gap. The observed value of gap energy for 2% of Ni by weight is 3.25eV; also, the urbach energy value of “EU” is contrast with the values of energy gap.For ZnO powder nanostructures, we studied the microstructural and morphological properties, it have been characterized by optical microscope and first-principals computing. The ZnO replicas were clearly observed, the band structure and density of states of phase of crystal ZnO computed using Ab Initio methods, confirmed that pure ZnO is a direct band gap semiconductor for B3 phase, whose phase B3 is of ZnS type Blende.

Citation

MILOUD Ibrir , , (2022), Effect of Ni Doping on the Optical Properties of ZnO Thin Films Prepared by Sol-Gel Spin Coating and Investigation of ZnO Powder Nanostructures, Solid State Phenomena, Vol:336, Issue:336, pages:103-107, Trans Tech Publications Ltd

This work presents the structural and microstructural properties of zinc oxide (ZnO) powders, for that, we used X-ray diffraction (XRD), Optical microscope as characterization methods. Powder X-ray diffraction data confirm a hexagonal crystal structure formation with space group p63mc of ZnO. By Rietveld refinement, we have determined the microstructural parameters with the c axis of the preferential orientation, the ZnO replicas were clearly observed under an optical microscope. Band structure and density of states of the phase of crystal ZnO computed using Ab Initio methods, confirmed that pure ZnO is a direct band gap semiconductor in hexagonal wurtzite structure.

Citation

MILOUD Ibrir , , (2022), ZnO Powder Nanostructures: Characterization and Ab Initio Study, Materials Science Forum, Vol:1058, Issue:1058, pages:57-61, Trans Tech Publications Ltd

Cobalt-doped ZnO films were grown on the glass substrates using sol-gel/spin-coating technique to investigate the effect of annealing on the structural and magnetic properties. The X-ray diffraction (XRD) patterns of the Co-doped ZnO films are dominated by the (002) peak, suggesting an up-standing array of ZnO structure hexagonal (wurtzite) with a good crystalline quality, however, the secondary phases of Co3O4 and Co are present in the samples. With the annealing temperature increased, the secondary phases tend to disappear completely and the intensity of the (002) peak increased, indicating a high crystallinity of the samples. For the ZnO majority phase, the lattice constant (c) decreases (from 5.232 Å to 5.224 Å), while the crystallite size increases (from 22.040nm to 24.018nm) as the annealing temperature varies from 380∘C to 600∘C. Significant changes in the dislocation density (δ), strain (εc) and stress (σc) of the Co-doped ZnO films were also observed, by increasing the annealing temperature. All samples display a ferromagnetic behavior with variations in the saturation magnetization (Ms=1.31×10−5, 1.19×10−5 and 1.15×10−5 emu/cm3) and coercive field (Hc=82, 104 and 75 Oe) for the temperatures of 380∘C, 500∘C and 600∘C, respectively. The magnetic behavior of Co-doped ZnO films confirms the exchange interaction between the local spin moments produced by the oxygen vacancy. In addition, the ferromagnetic existence of the samples (380∘C, 500∘C and 600∘C) can be attributed to certain nanoparticles or to the binding of Co+2 ions at the Zn+2 location in the ZnO lattice. Finally, it appears that the ferromagnetism at room temperature found in these films, is consistent with endogenous defects (oxygen vacancies) and magnetic ions insertion along the same lines.

Citation

MILOUD Ibrir , , (2022), Effect of Annealing of Co-DOPED ZnO Thin Films on Structural and Magnetic Properties Deposited by Sol-Gel Technique, Surface Review and Letters, Vol:29, Issue:7, pages:1-8, World Scientific Publishing Co. Pte. Ltd.

In this work pure and Co doped ZnO thin films have been deposited onto glass substrate at different levels of Co-doping. XRD, SEM, and optical spectroscopy techniques have been used to investigate all films. The grain size was found to increase upon Co doping from 26.2 nm to 50.3 nm.

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , Omar MEGLALI , ,(2022), Effet of cobalt doping on the physical properties of ZnO thin films for photocatalytic application,1er Séminaire National des sciences du Génie des Procédés,USTHB-Alger

Effet of doping Co-Cu co-doped ZnO on the structural and optical properties prepared by the spin-coating method

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , Omar MEGLALI , ,(2022), Effet of doping Co-Cu co-doped ZnO on the structural and optical properties prepared by the spin-coating method,1st National Conference on Materials, Energy & Environment,Biskra

Optical properties of Mg Doped Znic Oxide thin films deposited on glass substrates by spin coatingtechnique

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , ,(2022), Optical properties of Mg Doped Znic Oxide thin films deposited on glass substrates by spin coatingtechnique,The First International Seminar on Materials synthesis and and Evvironmental Monitoring,Ourgla

In the present paper, the results of a detailed computational study of the structural, electronic, optical, magnetic and thermoelectric properties of the CdXP2 (X = Si, Ge and Sn) compounds have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method. The calculated structural parameters of the title compounds are in excellent agreement with the available theoretical data. Furthermore, in order to clarify the mechanism of electronic band structure and optical transitions of CdXP2 (X = Si, Ge and Sn), the electronic structure and density of states, complex dielectric function, refractive index with extinction coefficient, optical conductivity and absorption coefficient are calculated for radiations up to 20 eV. Finally, the thermoelectric parameters are computed for 300–900 K temperature range to explore the potential of these compounds for applications in technological devices.

Citation

MILOUD Ibrir , , (2021-09-01), Band parameters and thermoelectric properties of chalcopyrite ternary compounds CdXP2 (X= Si, Ge and Sn), Computational Condensed Matter, Vol:28, Issue:, pages:e00577, Elsevier

Morphological, structural optical characteristics of ZnO:Cu thin films elaborated by chemical method

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , ,(2021), Morphological, structural optical characteristics of ZnO:Cu thin films elaborated by chemical method,The organizing committee of the first International Conference on Sustainable Energy and Advanced Materials,Ourgla

In this work we prepared the thin films of zinc oxide inlaid with cobalt atoms on glass substrates using sol-gel spin coating technology in different doping concentration (0%, 2% and 3%). Structural optical and electrical properties were studied by XRD, FTIR, UV-visible and quater point respectively. Structural properties showed that the films were well crystallized and had a hexagonal wurtzite crystalline structure with crystalline constants a = b = 3.249Å and c = 5.206Å for pure zinc oxide these values change as the cobalt concentration changes and the grain size were calculated. UV-Visible measurements indicated that the cobalt atomization decreases band gap, the extinction coefficient and refractive index were calculated. Structural, optical and electrical results have shown that thin films and method of preparation can help photovoltaic applications in solar cells and can improve yield for this application.

Citation

abdelkader MOHAMMEDI , MILOUD Ibrir , Omar MEGLALI , AHMED Saoudi , ,(2020), physics properties of synthesized transition metal (co)-doped zno thin film for photovoltaic application,1st international symposium ‘Environment and Sustainable Development’,university of relizan

PHYSICS PROPERTIES OF SYNTH ESIZED TRANSITION METAL (CO)-DOPED ZNO THIN FILM FOR PHOTOVOLTAIC APPLICATION

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , Omar MEGLALI , ,(2020), PHYSICS PROPERTIES OF SYNTH ESIZED TRANSITION METAL (CO)-DOPED ZNO THIN FILM FOR PHOTOVOLTAIC APPLICATION,1s International Symposium 'Environment & Sustainable Development,Relizane

An important milestone in the development of photovoltaic thin-film solar cells is the achievement of conversion efficiences. This work describes the highest efficiency single junction thin-film cell reported to date. n-ZnO/n-CdS/p- CuInSe2 deposited on glass substrate. The current achievements are due to improved properties of ZnO were prepared In this present study, iron doped zinc oxide thin films (ZnO: Fe) were prepared by using a simple chemical sol–gel spin coating technique on the substrate of glass varying the Fe doping concentration 0%, 1%, 5% and 10% wt. Structural and optical properties were studied respectively by X-ray diffraction and UV-visible spectroscopy. Structural results shown that all elaborated thin films are hexagonal wurtzite structure with a preferred orientation along [002] direction. Note that the lattice parameter a=b, c increases while the c constant decreases with the increasing in the Fe concentration. We found that the crystalline size increases with the addition of a Fe, it is achievedby its maximum value 21 nm for 5%. The masses density and the crystals number were calculated, the obtained resultes indicate that they are inversly proportional to the grain size the UV–visible optical transmittance measurements show that films absorption is due to allowed direct transition with a band gap ranged from 3.27 to 3.16 eV.

Citation

abdelkader MOHAMMEDI , MILOUD Ibrir , Omar MEGLALI , AHMED Saoudi , Moufdi. Hadjab, ,(2019), Optical properties of synthesized metal transition (Fe)-doped ZnO transparent thin films prepared by sol-gel spin coating Solar cells applications,The 2nd Algerian-German International Conference on New Technologies and their applications (AGICNT),SETIF - Algeria

In this work, density functional theory plane-wave full potential method, with local density approximation (LDA) are used to investigate the structural, mechanical and thermodynamic properties of of zincblende III-X ( X= As, Sb) compends. Comparison of the calculated equilibrium lattice constants and experimental data shows very good agreement. The elastic constants were determined from a linear fit of the calculated stress-strain function according to Hooke’s law. From the elastic constants, the bulk modulus B, shear modulus G, Young’s modulus E, Poisson’s ratio σ, anisotropy factor A, the ratio B/G and the hardness parameter H for zincblende III-X ( X= As, Sb) compound are obtained. Our calculated elastic constants indicate that the ground state structure of III-X ( X= As, Sb) is mechanically stable. The sound velocities and Debye temperature are also predicted from elastic constants

Citation

MILOUD Ibrir , Moufdi HADJAB, Gazi Yalcin BATTAL, Fayçal BOUZID, Abderrahim HADJ LARBI, Samah BOUDOUR, Hassene NEZZARI, , (2019), Elastic, mechanical and thermodynamic properties of zincblende III-X ( X= As, Sb): ab-initio calculations, International Journal of Energetica (IJECA), Vol:4, Issue:1, pages:23-27, IJECA

يشمل هذا الكتاب على ملخص للدروس حسب برنامجوزارة التربية والتعليم لتطور جملة كيمائية نحو حالة التوازن لشعبتي العلوم التجريبية وتقني رياضي

Citation

MILOUDIbrir , Ayed abdelhak, ,(2019); تطور كميات المتفاعلات والنواتج خلال تحول كيمائي في محلول مائي,,السبيل لنشر والتوزيع

In this work thin layers of ZnO were prepared with Co cobalt element in different doped concentration, On the substrate of glass prepared by sol–gel spin coating technique Concentration of doped was (0, 1 and 2%). It is for many uses, optical and electrical properties respectively were studied by UV-visible spectroscopy and by EDX by used four points . Where optical studies resulted in the results of the transmittance of the energy gap-band and the extiention coefficient and refractive index figure of merit as the rates of deflection cobalt [1, 2]. As for the electrical results, we studied the effect of the deflection ratios. We determined the electric conductivity and the square resistance. Through the study and the relationship between the optical and electrical properties, the figure of merit was calculated for the Photovoltaic uses.

Citation

abdelkader MOHAMMEDI , MILOUD Ibrir , Omar MEGLALI , ,(2019), Effect (Co) On optical and electrical properties thin films ZnO nanostructure,CONFERENCE INTERNATIONAL DE PHYSIQUE ET CHIMIE QUANTIQUE CIPCQ 2019,Université de Bejaia

Optical properties of synthesized metal transition (Fe)-doped ZnO transparent thin films prepared by sol-gel spin coating Solar cells applications

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , Omar MEGLALI , ,(2019), Optical properties of synthesized metal transition (Fe)-doped ZnO transparent thin films prepared by sol-gel spin coating Solar cells applications,Second Algerian German International on new Technologies and their Applications,Sétif

Effect (Co) On optical and electrical properties thin films ZnO nanostructure

Citation

MILOUD Ibrir , abdelkader MOHAMMEDI , Omar MEGLALI , ,(2019), Effect (Co) On optical and electrical properties thin films ZnO nanostructure,3~me Congrés International de Physique et Chimie Quantique,Bijia

In this work undoped, thin films and doped ZnO with iron concentrations were deposited on glass substrates by sol-gel spin coating. The doping concentrations of Ni are 0, 2, and 5 (% mol). The structural and optical properties were characterized by X-ray diffraction (XDR) and by UV-visible spectrometry. The results show that all the thin films crystallized in the wurtzaite hexagonal structure with a preferential orientation according to the atomic plane (002). The lattice parameter a has increased and the lattice parameter c decreased as a function of the Ni concentration. We also note that the crystallite size increases with the Ni concentration, with a maximum maximal size was found to be about 24 nm for the film of 5D. As far as optical measurements are concerned, we have found that gap energy (Eg) decreases but Urback energy increases with increasing Ni concentration.

Citation

abdelkader MOHAMMEDI , MILOUD Ibrir , Omar MEGLALI , taieb refice, ,(2018), Study of structural and optical properties of nanostructure Ni doped ZnO thin films prepared by sol–gel spin coating technique,International Conference on Materials Science 2018 (ICMS2018),university of setif 1

Investigation of the physical properties of chalcopyrite materials using ab-initio methods have been carried out to simulate a new structure of thin-films photovoltaic cells with high conversion efficiency. The Density Functional Theory calculations have been performed using Wien2k computational package by employing the full-potential linearized augmented plane wave method. Structural and electronic properties of chalcopyrite semiconducting material Copper–Indium–Gallium–Selenium i.e. CuIn1-xGaxSe2 have been investigated using local density approximation for the exchange-correlation potential. The electronic structures and linear optical properties have been studied using both the semi-local Becke-Johnson potential and its modified form i.e. mBJ and TB-mBJ. Computational results are in good agreement with those acquired experimentally. The viability of alloys in realization of ultra-thin-film based (CIGS) solar cells with high performance has been proposed after simulation and analysis study using one of solar cell simulation tools. The studied material exhibits capability to become a promising candidate for fabrication of optoelectronic and photovoltaic devices.

Citation

MILOUD Ibrir , Moufdi Hadjab, Smail Berrah, Hamza Abid, Mohammad Alam Saeed, , (2018), Structural, electronic and optical properties for chalcopyrite semiconducting materials: ab-initio computational study, Optik, Vol:169, Issue:1, pages:69-76, Urban & Fischer

The structural and mechanical properties of BiOCuS with Cu vacancies (BiOCu0.875S) have been investigated by using the first-principles density functional theory within the generalized gradient approximation. Population analysis suggests that the chemical bonding in BiOCu0.875S has predominantly ionic character with mixed covalent−ionic character. Basic physical properties, such as lattice constant, elastic constants Cij, bulk modulus B, shear modulus G, were calculated. The elastic modulus E and Poisson ratio ν the ratio B/G, shear anisotropy and elastic anisotropy βc/βa were also predicted. The results show that tetragonal phase BiOCu0.875S is mechanically stable and behaves in a ductile manner.

Citation

MILOUD Ibrir , Said Lakel, A Guibadj, , (2016), Structural and elastic properties of BiOCu1-xS with Cu vacancies, Materials Today: Proceedings, Vol:3, Issue:9, pages:2877-2882, Elsevier

Our calculations were conducted within density functional theory (DFT) and density functional perturbation theory (DFPT) using norm-conserving pseudo-potential and the local density approximation. The elastic constants of Zn1−xBexO were calculated, C11, C33 and C44 increase with the increase of Be content, whereas the C12 shows a non-monotonic variation and C13 decreases when Be concentration increases. The values of bulk modulus B, Young’s modulus E and shear modulus G increase with the increase of Be content. Poisson’s ratio σ decreases with increased Be concentration. The ductility decreases with increasing Be concentration and the compressibility for Zn1−xBexO along c-axis is smaller than along a-axis. Phonon dispersion curves show that Zn1−xBexO is dynamically stable (no soft modes). Quantities such as refractive index, Born effective charge, dielectric constants and optical phonon frequencies were calculated as a function of the Be molar fraction x. The agreement between the present results and the known data that are available only for ZnO and BeO is generally satisfactory. Our results for Zn1−xBexO(0

Citation

MILOUD Ibrir , F Elhamra, S Lakel, K Almi, H Meradji, , (2015), Theoretical investigation of elastic and phononic properties of Zn1-xBexO alloys, Modern Physics Letters B, Vol:29, Issue:24, pages:1550140, World Scientific Publishing Company

A first-principles approach is used to study the structural, electronic and magnetic properties of ZrCoTiZ(Z = Si, Ge, Ga and Al) quaternary Heusler compounds, using full-potential linearized augmented plane wave (FP-LAPW) scheme within the GGA. Our calculations predict that ZrCoTiSi, ZrCoTiGe, ZrCoTiGa and ZrCoTiAl are half-metallic ferromagnets (HMFs) with a HM flip gaps of 1.03, 0.90, 0.68 and 0.59 eV, respectively. The half metallicity is found to be robust with respect to the lattice compression and is maintained up to the lattice constant contraction of 6%, 7%, 9% and 8% for ZrCoTiSi, ZrCoTiGe, ZrCoTiGa and ZrCoTiAl respectively. These compounds show a Slater-Pauling behavior and the total spin magnetic moment per unit cell (mtot) scales with the total number of valence electrons (Nv) following the rule mtot = Nv − 18. The formation enthalpies for both structures are negative indicating stability of these

Citation

MILOUD Ibrir , , (2014), Robust half-metallic ferromagnet of quaternary Heusler compounds ZrCoTiZ (Z= Si, Ge, Ga and Al), Computational Condensed Matter, Vol:1, Issue:1, pages:26-31, Elsevier