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N° Intitulé ISSN Date de la 1ère Parution Lien
         
         
         
         
         
         
         
         
         

 

N° Type de Projet Intitulé Membres Partenaires Observations
           
           
           
           
           
           
           
           
           

 

Les Publications: 

N° Intitulé Type Lien Revue Article Inter/National
01. Predictive study of electronic properties of silicon–carbon alloys  Article Materials Science and Engineering: B https://doi.org/10.1016/j.mseb.2005.05.011  International 
 02 Optical properties of BP, BAs and BSb compounds under hydrostatic pressure  Article Physica B  https://doi.org/10.1016/j.physb.2005.06.018  International 
03  Full-relativistic calculation of electronic structure of Zr2AlC and Zr2AlN Article Solid State Communications  https://doi.org/10.1016/j.ssc.2006.06.044  International  
 04  Structural, electronic and energetic properties of silicon carbon alloys Article  Physica B https://doi.org/10.1016/j.physb.2006.05.349   International 
 05  Full-potential electronic structure of Hf2AlC and Hf2AlN Article Acta Materialia   https://doi.org/10.1016/j.actamat.2007.03.011  International 
 06  FP-LMTO Investigation of the Structural and Electronic Properties of CuxAg1–xI Alloys  Article Materials Sciences and Application   http://dx.doi.org/10.4236/msa.2011.27103  International 
 07  Structure and Bonding of Nanolayered Ternary Phosphides  Article Materials Sciences and Application    http://dx.doi.org/10.4236/msa.2011.210187  International 
 08 Structural and electronic properties of the Laves phase based on rare earth type BaM2 (M = Rh, Pd, Pt)   Article Results in Physics  https://doi.org/10.1016/j.rinp.2012.06.001  International  
 09  First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe  Article  Journal of Superconductivity and Novel Magnetis https://doi.org/10.1007/s10948-013-2401-3  International  
10 Ab initio study of the structural, electronic, elastic and thermal properties of RMn2Ge2 (R = Ca, Nd and Y) intermetallic compounds  Article Journal of Alloys and Compounds https://doi.org/10.1016/j.jallcom.2014.07.146  International 
11 First-principles study of structural, electronic, elastic and thermal properties of intermetallic ternary compounds (RMn2Si2: R=Ce and Nd)  Article

Materials Science in Semiconductor Processing

 https://doi.org/10.1016/j.mssp.2015.04.004  International 
12  First-principles study of the electronic and magnetic properties of Fe2MnAl, Fe2MnSi
and Fe2MnSi0.5Al0.5		  Article  Journal of Magnetism and Magnetic Materials https://doi.org/10.1016/j.jmmm.2014.10.094  International  
13 Mechanical, electronic and thermodynamic properties of full Heusler compounds Fe2VX
(X = Al, Ga) 		 Article   International Journal of Modern Physics B  https://doi.org/10.1142/S021797921550229X International   
14  First Principles Investigation of the Elastic, Optoelectronic and Thermal Properties of
XRuSb: (X = V, Nb, Ta) Semi-Heusler Compounds Using the mBJ Exchange Potential		 Article   Journal of Electronic Materials  https://doi.org/10.1007/s11664-016-4488-3   International   
15 First-Principles Calculations of Structural, Electronic, Magnetic and Elastic Properties of
Heusler Alloys Ru2CoZ (Z = Si, Ge and Sn)		  Article    SPIN  https://doi.org/10.1142/S2010324718500091 International    
16  Novel Theoretical Prediction of Structural Properties, Ferromagnetic Ordering, and
Electronic Structure of Fe2PbC MAX Phase		  Article    Journal of Superconductivity and Novel Magnetism https://doi.org/10.1007/s10948-017-4506-6   International    
17  A Novel Theoretical Study of Elastic and Electronic Properties of M2CdC (M = Zr, Hf,
and Ta) MAX Phases		  Article   ACTA PHYSICA POLONICA A  https://doi.org/10.12693/APhysPolA.133.7  International    
18  The Preference of the Ferromagnetic Ordering for the Novel Heusler Rh2MnTi
Compound		  Article    Journal of Superconductivity and Novel Magnetism https://doi.org/10.1007/s10948-018-4837-y  International     
19 Insight view of mechanical, electronic and thermodynamic properties of the novel
intermetallic REPt4In4(RE=Eu, Gd, Tb,Dy, Ho) compounds via ab initio calculations		  Article    Bulletin of Materials Science https://doi.org/10.1007/s12034-020-02095-6   International     
20  Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of
Rh2CrGe Full-Heusler Alloy		  Article   ACTA PHYSICA POLONICA A  https://doi.org/10.12693/APhysPolA.136.454  International     
21  First-principles calculations of the structural, electronic, mechanical and thermodynamic
properties of MAX phase Mon+1GeCn(n = 1–3) compounds		   Article   Materials Today Communications  https://doi.org/10.1016/j.mtcomm.2020.101420  International      
22

First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds

  Article    Scientific reports  https://doi.org/10.1038/s41598-021-89042-5  International      
Equipe N°02
N°  Intitulé  Type Article Lien Revue Inter/National 
01  High pressure and temperature dependence of the structural, electronic, thermal and transport properties of U 3 Si 2 : computational insights  Article   physica status solidi (b) 

https://onlinelibrary.wiley.com/doi/10.1002/pssb.202100630

 		  International
02 DFT study on the crystal structure, optoelectronic, and thermoelectric properties of lead-free inorganic A2PdBr6 (A= K, Rb, and Cs) perovskites    Article    Materials Today Communications   https://www.sciencedirect.com/science/article/abs/pii/S235249282101045X  International 
03   Structural, optoelectronic, optical coating and thermoelectric properties of the chalcogenides type Kesterite Ag2CdSnX4 (with X= S, Se): A computational insight Article Materials Science in Semiconductor Processing    https://www.sciencedirect.com/science/article/abs/pii/S1369800121003772  International  
04  Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni2Mn (Ge, Sn) and Mn2NiGe Article  Zeitschrift für Naturforschung  https://www.degruyter.com/document/doi/10.1515/zna-2020-0329/html   International 
05  A comparative study of structural, thermal, and optoelectronic properties between zircon and scheelite type structures in SrMoO4 compound: An ab-initio study  Article Optik    https://www.sciencedirect.com/science/article/abs/pii/S0030402621004307  International  
 06  Structural, Optoelectronic and Thermodynamic Characteristic of Orthorhombic SnZrCH3 (CH= S, Se) Compounds: Insights from DFT computations  Article Materials Today Communications   https://www.sciencedirect.com/science/article/abs/pii/S2352492821004190    International 
 07  Electronic, optical, and thermoelectric properties of perovskite variants A2BX6: Insight and design via first‐principles calculations Article  International Journal of Energy Research  https://onlinelibrary.wiley.com/doi/abs/10.1002/er.6118    International 
 08  DFT-based computer simulation of the physical properties of transparent conducting oxide of delafossite-type: AgInO2 and AgYO2   Article   Physica B: Condensed Matter   https://www.sciencedirect.com/science/article/abs/pii/S0921452620305792    International 
 09  Electronic, elastic, thermodynamic and vibrational properties of Li6BeZrF12: Insights from DFT-based computer simulation    Article    Computational Condensed Matter  https://www.sciencedirect.com/science/article/abs/pii/S2352214320300526    International 
 10  Computational insights into the electronic structure and magnetic properties of rhombohedral type half-metal GdMnO3 with multiple Dirac-like band crossings    Article   Frontiers in chemistry   https://www.frontiersin.org/articles/10.3389/fchem.2020.00558/full    International 
 11  Electronic Structure and Ferromagnetic Properties of Doped Calcium Sulfide CaTMxS (TM V, Cr and Co)   Article   Spin  https://www.worldscientific.com/doi/abs/10.1142/S2010324720500137   International 
 12  Understanding the thermodynamic and magnetic properties, remarkable multiple Dirac-cones, and fully spin-polarization in a new half-metal TbNiO3 with R3¯ c phase via first-principles  Article    Journal of Magnetism and Magnetic Materials  https://www.sciencedirect.com/science/article/abs/pii/S0304885319313241   International 
 13  Structural and physical properties of intermetallic compounds Re3Pd2Sn2,(Re= Yb, Eu)   Article    Computational Condensed Matter https://www.sciencedirect.com/science/article/abs/pii/S2352214319302680   International 
 14  Electronic, magnetic, and thermodynamic properties of rhombohedral Dysprosium Manganite and discussions of effects of uniform strain, spin-orbit coupling, hole and electron doping on its electronic structures   Article   Journal of Solid State Chemistry  https://www.sciencedirect.com/science/article/abs/pii/S0022459619302592   International 
 15  New R3–C type half-metal MnBO3 with remarkable multiple Dirac-like band crossings: Effects of uniform strain, vacancies, spin–orbit coupling, and hole and electron doping on its electronic structures   Article   Journal of Alloys and Compounds      https://www.sciencedirect.com/science/article/abs/pii/S0925838819319991  International 
 16  DFT-Based Study on Electronic, Magnetic, and Thermodynamic Properties of HoMnO3: A Half-Metallic Material with Nearly Linear Band Crosses   Article   Spin  https://www.worldscientific.com/doi/abs/10.1142/S2010324719500176   International 
 17  Perovskite phase AgCuF3: multiple Dirac cones, 100% spin polarization and its thermodynamic properties   Article    Acta Cryst  https://scripts.iucr.org/cgi-bin/paper?um5027  International 
 18  Structural, electronic and magnetic properties of new full Heusler alloys Rh2CrZ (Z= Al, Ga, In): First-principles calculations   Article    Chinese Journal of Physics https://www.sciencedirect.com/science/article/abs/pii/S0577907318316964   International 
 19  Rhombohedral HoNiO3: A new half-metallic material with a high TC, full spin-polarization and multiple Dirac-cones for advanced functional applications   Article    Superlattices and Microstructures https://www.sciencedirect.com/science/article/abs/pii/S0749603619305610   International 
 20  Ab initio study of Rhombohedral ErMnO3 as a high Tc half-metal with multiple Dirac cones and promising applications in spintronics   Article   Results in Physics  https://www.sciencedirect.com/science/article/pii/S2211379719309957   International 
 21 Computational investigations of the band structure, and thermodynamic and optical features of thorium-based oxide ThGeO4 using the full-potential linearized augmented plane-wave plus local orbital approach   Article   Journal of Physics and Chemistry of Solids  https://www.sciencedirect.com/science/article/abs/pii/S0022369717305103   International 
 22  Structural, electronic, magnetic, half-metallic, mechanical, and thermodynamic properties of the quaternary Heusler compound FeCrRuSi: A first-principles study   Article    Scientific reports https://www.nature.com/articles/s41598-017-16324-2   International 
 23  Investigating the Structural, Thermal, and Electronic Properties of the Zircon-Type ZrSiO4, ZrGeO4 and HfSiO4 Compounds  Article     Journal of Electronic Materials https://link.springer.com/article/10.1007/s11664-016-4767-z   International
 24  An ab initio study of the structural, elastic, electronic, optical properties and phonons of the double perovskite oxides Sr2AlXO6 (X= Ta, Nb, V)   Article   Materials Science in Semiconductor Processing   https://www.sciencedirect.com/science/article/abs/pii/S1369800115302055  International 
 25  Elastic, Electronic, Optical and Thermal Properties of Na2Po: An Ab Initio Study   Article   Journal of Electronic Materials   https://link.springer.com/article/10.1007/s11664-015-4119-4  International 
 26  First principles study of Mg2X (X= Si, Ge, Sn, Pb): Elastic, optoelectronic and thermoelectric properties   Article    Materials Science in Semiconductor Processing https://www.sciencedirect.com/science/article/abs/pii/S1369800115300329   International 
 27  Structural, Elastic, Electronic Optical and Thermodynamic Properties of ZnAl 2 S4   Article   International Journal of Thermophysics   https://link.springer.com/article/10.1007/s10765-015-1941-0  International 
 28  Chalcogenides-based quantum dots: Optical investigation using first-principles calculations   Article   Materials Science in Semiconductor Processing  https://www.sciencedirect.com/science/article/abs/pii/S1369800115003303   International 
 29  First-principles calculations for optical investigations of Pb X (X= S, Te) compounds under quantum dots diameter effect  Article    Canadian Journal of Physics  https://cdnsciencepub.com/doi/abs/10.1139/cjp-2015-0145   International 
 30  Ab Initio Study of the Structural, Electronic, and Thermal Properties of BaS 1-x Te x Alloy   Article   International Journal of Thermophysics   https://link.springer.com/article/10.1007/s10765-015-1908-1  International 
 31  Ab Initio Study of the Mechanical, Thermal and Optoelectronic Properties of the Cubic CsBaF3   Article    Acta Physica Polonica  http://psjd.icm.edu.pl/psjd/element/bwmeta1.element.bwnjournal-article-appv128n107kz  International 
 32  Theoretical characterization of quaternary iridium based hydrides NaAeIrH6 (Ae= Ca, Ba and Sr)  Article    Materials Chemistry and Physics  https://www.sciencedirect.com/science/article/abs/pii/S0254058414006221   International 
 33  Structural, electronic, optical and thermodynamic properties of cubic REGa3 (RE= Sc or Lu) compounds: Ab initio study   Article    Journal of Alloys and Compounds https://www.sciencedirect.com/science/article/abs/pii/S0925838814002680   International 
 34  Structural phase transition, mechanical and optoelectronic properties of the tetragonal NaZnP: Ab-initio study   Article   Computational Materials Science  https://www.sciencedirect.com/science/article/abs/pii/S0927025613007246   International 
 35  Elastic, optoelectronic, and thermal properties of cubic CSi2N4: an ab initio study   Article   Journal of materials science   https://link.springer.com/article/10.1007/s10853-013-7636-7  International 
 36  Spin-polarized electronic structure and magnetic properties of Ge1− xTMxTe (TM= Mn, Fe)   Article    Journal of Magnetism and Magnetic Materials  https://www.sciencedirect.com/science/article/abs/pii/S0304885313004691  International 
 37  Electronic band structure, optical, thermal and bonding properties of XMg2O4 (x= Si, Ge) spinel compounds   Article   International Journal of Modern Physics B   https://www.worldscientific.com/doi/abs/10.1142/S0217979213500823  International 
 38  DFT-based ab initio study of the electronic and optical properties of cesium based fluoro-perovskite CsMF3 (M= Ca and Sr)  Article    International Journal of Modern Physics B   

https://www.worldscientific.com/doi/abs/10.1142/S0217979212501998

  International 
 39  Full-Potential Calculation of Structural, Electronic, and Thermodynamic Properties of Fluoroperovskite (M = Be and Mg)   Article   International Journal of Thermophysics   https://link.springer.com/article/10.1007/s10765-012-1353-3  International 
 40  Ab initio calculation of ZnSiAs2 and CdSiAs2 semiconductor compounds  Article    Physica B: Condensed Matter  https://www.sciencedirect.com/science/article/abs/pii/S0921452610009579   International 
 41  First-principles study of structural, electronic and elastic properties under pressure of calcium chalcogenides   Article   Physics Procedia   https://www.sciencedirect.com/science/article/pii/S1875389209001278  International 
 42  FP-APW+ lo calculations of the electronic and optical properties of alkali metal sulfides under pressure   Article   Journal of Physics: Condensed Matter  https://iopscience.iop.org/article/10.1088/0953-8984/21/9/095404/meta    International 
 43 First principles study of the elastic properties in X2S (X= Li, Na, K and Rb) compounds under pressure effect    Article    Solid State Communications  https://www.sciencedirect.com/science/article/abs/pii/S0038109808002950  International 
 44  Electronic and optical properties under pressure effect of alkali metal oxides   Article The European Physical Journal B  https://link.springer.com/article/10.1140/epjb/e2008-00286-6   International 
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           
           

 

Les Communications: 

N° Intitulé Type Lien Date Lieu Inter/National
      Conférence         
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Dénomination de l'équipe 4:

Physique des Nouveaux Matériaux Simulation et Modélisation

Thématique de l'équipe 4:

La recherche de nouveaux matériaux aux propriétés physiques et/ou chimiques spécifiquesest un enjeu majeur de l’industrie actuelle, et ce quels que soient les domainesd’applications considérés (micro-électronique, énergie, santé, etc.).
Le principal objectif de notre équipe est la prédiction des propriétés physiques difficilement mesurables des matériaux mal connus ou peu caractérisés par les méthodes premiers principes (DFT).dans le but de leur valorisation.La compréhension, la modélisation, et la prédiction des propriétés physique requièrent une connaissance fondamentale de leurs propriétés. Les propriétés physiques visées par les actions de recherche de notre équipe sont :
• Les propriétés( thermoélectriques,élastiques, vibrationnelles et thermodynamiques, magnétiques, piézoélectriques et électro-optiques)
L’étude des matériaux sous conditions de hautes pressions et températuressera aussi scrutée et étudiée. De même, les transitions de phases et stabilités structurelles seront aussi l’objectif de notre étude. Cette démarche concerne aussil’étude des solutions solides et alliages pour des applications spécifiques par une proposition de nouvelles stœchiométries.
Finalement notre action s’inscrit dans le cadre de la formation de jeunes chercheurs.

Membres de l'équipe 4:

N° Nom et Prénom Grade Qualité ResearchGate GoogleScholar
 01.  LITIMEIN Fatma  Professeure  Cheffe d'équipe    
 02.  METADJER Nadjet  MCB  Membre    
 03.  MEBTOUCHE Hanane  MCB  Membre    
 04.  BEN BELLIL Nadjet  Doc.  Membre    
 05.  LANI MOHAMMED  Doc.  Membre    
 06.  BOURAHLA Chahrazed Doc.  Membre    
 07.  EZZINE Kawther fatima zohra Doc.  Membre    
  1. Équipe 3
  2. Équipe 2
  3. Équipe 1
  4. Localisation