Projets de recherche:
Projets CNEPRU
Projets CMEP
Projets CNEPRU
- Etude par les méthodes du premier principe des surfaces et interfaces de matériaux complexes semi-conducteurs et métalliques. N° D02020100054. Université de Tlemcen. Dirigé par le professeur G. MERAD
- Etude et prédiction des propriétés physiques des matériaux complexes à base de semi- conducteurs III-V et II-VI et des métaux de transition. CNEPRU D 1301/06/04. Université de Tlemcen. Dirigé par le professeur G. MERAD
- Etude et Prédiction des Propriétés Structurales, Electroniques, Optiques et Thermodynamiques de Matériaux Complexes à base de Semi-conducteurs et de Métaux. CNEPRU D02020060076. Université de Tlemcen. Dirigé par le professeur G. MERAD
- prédiction des nouveaux composés métalliques pour les applications aéronautiques. CNEPRU D1301/54/ 05. Université de Tlemcen. Dirigé par le professeur H. AOURAG
Projets CMEP
- Etude et prédiction des propriétés physiques des matériaux complexes à base de semi-Conducteurs III-V et II-VI et des métaux de transition. CMEP 03 MDU 585. Université de Tlemcen et université de Grenoble. Dirigé par le professeur G. MERAD.
- La modélisation multi-échelles et la prédiction de nouveaux matériaux : Application aux intermétalliques et nanostructures métalliques. CMEP 06 MDU 673. Université de Tlemcen et université de Metz. Dirigée par le professeur H. AOURAG.
Publications
- First-principle prediction of half-metallic ferrimagnetism in Mn-based full-Heusler alloys with highly ordered structure. H. Zenasni, H.I. Faraoun, C. Esling. Journal of Magnetism and Magnetic Materials, Available online 17 January 2013
- Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties. S. Lardjane, G. Merad, N. Fenineche, A. Billard, H.I. Faraoun. Journal of Alloys and Compounds, Volume 551, 25 February 2013, Pages 306–311.
- Elastic constants of austenitic stainless steel: Investigation by the first-principles calculations and the artificial neural network approach. Kamel Benyelloul, Hafid Aourag. Computational Materials Science, Volume 67, February 2013, Pages 353–358
- First-principles calculations of adhesion, bonding and magnetism of the Fe/HfC interface. H. Si Abdelkader, H.I. Faraoun. Journal of Magnetism and Magnetic Materials, Volume 324, Issue 24, December 2012, Pages 4155–416
- Structure, bonding and stability of semi-carbides M2C and sub-carbides M4C (M=V, Cr, Nb, Mo, Ta, W): A first principles investigation. F. Z. Abderrahim, H. I. Faraoun, T. Ouahrani. Volume 407, Issue 18, 15 September 2012, Pages 3833–3838
- First principle study of the effect of Ti and Zr transition metals located in bulk D03Fe3Al and ∑5 (310)[001] grain boundary. S. Chentouf, J. M. Raulot, H. Aourag, T. Grodidier. Intermetallics Volume 28, September 2012, Pages 1–10
- Energetics of Ti and Zr transition metals in D03-Fe3Al and its Σ5 (310) [001] grain boundary. S. Chentouf, J. M. Raulot, H. Aourag, H. I. Faraoun, T. Grodidier. Intermetallics Volume 22, , March 2012, Pages 251–254
- Effect of rhenium alloying on adhesion of Mo/HfC and Mo/ZrC interfaces: A first-principles study. H. Si Abdelkader, H.I. Faraoun and C. Esling. J. Appl. Phys. 110, 044901 (2011).
- Ab initio investigation of Al/Mo2B interfacial adhesion. H. Si Abdelkader, H.I. Faraoun. Computational Materials Science, Volume 50, Issue 3, Janvier 2011, pages 880-885.
- Elastic properties and bonding of the AgGaSe2 chalcopyrite. Tarik Ouahrani, Alberto Otero-de-la-Roza, A.H. Reshak, R. Khenata, H.I. Faraoun, B. Amrani, M. Mebrouki, Víctor Luaña. Physica
- Elastic properties and bonding of the AgGaSe2 chalcopyrite. Tarik Ouahrani, Alberto Otero-de-la-Roza, A.H. Reshak, R. Khenata, H.I. Faraoun, B. Amrani, M. Mebrouki, Víctor Luaña. Physica B: Condensed Matter, Volume 405, Issue 17, 1 September 2010, Pages 3658-3664
- Electronic structure prediction via data-mining the empirical pseudopotential method. H. Zenasni, H. Aourag, S. R. Broderick and K. Rajan. Phys. stat. sol. B. (2010) vol. 247, no1, pp. 115-121.
- Ab initio investigation of the CdTe (001) surface. B. Rerbal, G. Merad, H. Mariette, H.I. Faraoun and J.-M. Raulot. Superlattices and Microstructures 46 (2009) 733-744
- Designing superlattices ultra hard coatings: Datamining approach. H. Aourag, F. Saidi, S. Broderick and K. Rajan. Journal of Computational and Theoretical Nanosciences, 6 (2009) 1-6.
- Thermal properties of Ba1−xSrxZrO3 compounds from microscopic theory. R. Terki, G. Bertrand, H. Aourag, C. Coddet.. Journal of Alloys and Compounds, Volume 456, Issues 1-2, 29 May 2008, Pages 508-513
- Simulation of thermal properties of Ba1−xZrO3 compounds for thermal barrier coating applications. R. Terki, G. Bertrand, H. Aourag, C. Coddet. Computational Materials Science, Volume 42, Issue 3, May 2008, Pages 416-420
- Cubic-to-tetragonal phase transition of HfO2 from computational study. R. Terki, G. Bertrand, H. Aourag, C. Coddet. Materials Letters, Volume 62, Issues 10-11, 15 April 2008, Pages 1484-1486
- Atomistic study of structural, elastic, electronic and thermal properties of perovskites Ba(Ti,Zr,Nb)O3. N. Iles, A. Kellou, K. Driss Khodja, B. Amrani, F. Lemoigno, D. Bourbie, H. Aourag.Computational Materials Science, Volume 39, Issue 4, June 2007, Pages 896-902
- Ab initio calculations of structural and electronic properties of Y2Ti2O7 and Cd2Nb2O7. R. Terki, G. Bertrand, H. Aourag, C. Coddet. Physica B: Condensed Matter,Volume 392, Issues 1-2, 15 April 2007, Pages 341-347
- Microstructural Modification of Metallic Materials by Electromagnetic Processing and the Theoretical Interpretation. L. Zuo, Y. D. Zhang, Z. C. Hu, H. I. Faraoun, X. Zhao and C. Esling. Advanced Materials Research Vols. 29-30 (2007) pp 123-126.
- Structural and electronic properties of zirconia phases: A FP-LAPW investigations. R. Terki, G. Bertrand, H. Aourag, C. Coddet. Materials Science in Semiconductor Processing, Volume 9, Issue 6 Pages 1006-1013
- Effect of oxygen deficiencies and the substitution of fluorine on the electronic states in YBa2Cu3O7 − δ superconductors. K. Larbaoui, A. Tadjer, B. Abbar, H. Aourag, B. Khelifa, C. Mathieu. Journal of Alloys and Compounds, Volume 414, Issues 1-2, 13 April 2006, Pages 20-25
- Comparative behavior of vacancy and C, B, N, O atoms single defect on hardening the B2-FeAl structure: An atomistic study. A. Kellou, T. Grosdidier, H. Aourag. Intermetallics, Volume 14, Issue 2, February 2006, Pages 142-148
- Electronic structure of some mono-, semi-titanium boride and diboride. B. Mouffok, H. Feraoun and H. Aourag. Materials Letters 60 (2006) 1433-1436.
- Tow-Body potential of the Buckingham type for copper halides. B. Mouffok, H. Feraoun, H. Aourag. Physica Status Solidi (b), Volume 243, Issue 6. May 2006, p 1182-1192.
- Vacancy effect in CuAg alloy. B. Mouffok, H. Feraoun and H. Aourag. Materials Letters 60 (2006) 1344-1346.
- Crystalline, Electronic and Magnetic Structures of q-Fe3C, c-Fe5C2 and h-Fe2C from first principle calculation. H. I. Faraoun, Y. D. Zang, C. Esling and H. Aourag. Journal of Applied Physics - JAP, 99, 1 April 2006.
- Modeling route for abradable coatings. H.I. Faraoun, J-L. Seichepine, C. Coddet, H. Aourag, J. Zwick, N. Hopkins, D. Sporer and M. Hertter. Surface Coating and Technology 200 (2006) 6578-6582.
- Improvement of Thermally Sprayed Abradable Coating by Microstructure Control. H.I. Faraoun, T. Grosdidier, JL. Seichepine, D. Goran, H. Aourag, C. Coddet, J. Zwick and N. Hopkins. Surface Coating and Technology, April 2006.
- Study of stability of twist grain boundaries in hcp zinc. H. Faraoun, G. Vincent, C. Esling and H. Aourag. Scripta Materialia 54 (2006) 865-868.
- Image-based model for wear-protective abradable coating. H. I. Faraoun, J-L. Seichepine, T. Grosdidier, C. Coddet and H. Aourag. Algerian Journal of Advanced Materials. AJAM 3 (2006) 223.
- Study of electronic and magnetic structures of Iron carbides by first principle modelling. H. I. Faraoun, Y. D. Zhang, C. Esling and H. Aourag. Algerian Journal of Advanced Materials. AJAM 3 (2006) 227.
- X-ray Absorption Near-Edge Structure and Valence State of Mn in (Ga,Mn)N. Titov, X. Biquard, D. Halley, S. Kuroda, E. Bellet-Amalric, H. Mariette, J. Cibert, A.E. Merad, G. Merad, M. B. Kanoun, E. Kulatov, and Yu. A. Uspenskii PHYS. REV. B 72, 115209 (2005).
- Full-potential investigation of the electronic and optical properties of stressed CdTe and ZnTe. E. Merad, M. B. Kanoun, G. Merad, J. Cibert, H. Aourag. Materials Chemistry and Physics, 92 (2005) 333-339
- State of the art simulations in electronic structure and total energy for the high temperature superconductor YBa2Cu3O7. K. Larbaoui, A. Tadjer, B. Abbar, H. Aourag, B. Khelifa, C. Mathieu. Journal of Alloys and Compounds, Volume 403, Issues 1-2, 10 November 2005, Pages 1-14
- Ab initio study of the stability of X (X=Cr, Nb, Ag) ultra-thin layers on Cu(001). A. Kellou, T. Grosdidier, A. Tadjer, C. Coddet, H. Aourag. Thin Solid Films, Volume 489, Issues 1-2, 1 October 2005, Pages 344-349
- Full potential investigations of structural and electronic properties of ZrSiO4. R. Terki, G. Bertrand, H. Aourag. Microelectronic Engineering, Volume 81, Issues 2-4, August 2005, Pages 514-523
- Correlation between the bulk modulus and the transition pressure in semiconductors. Y. Al-Douri, H. Abid, H. Aourag. Materials Letters, Volume 59, Issue 16, 1 July 2005, Pages 2032-2034
- Zinc blende AlN and GaN under pressure: structural, electronic, elastic and piezoelectric properties. M B Kanoun, S Goumri-Said, A E Merad, G Merad, J Cibert and H Aourag Semiconductor Science and Technology 19 (2004) 1220-1231
- Empirical molecular dynamics study of structural, elastic and thermodynamic properties of zinc-blende-like SiGe compound. Souraya Goumri-Said, Mohammed Benali Kanoun, Abdelkarim E. Merad, Ghouti Merad, Hafid Aourag. Materials Science & Engineering B 111 (2004) 207-213
- Prediction of structural and thermodynamic properties of zinc-blende AlN: molecular dynamics simulation. Souraya Goumri-Said, Mohammed Benali Kanoun, Abdelkarim E. Merad, Ghouti Merad and Hafid Aourag. Chemical Physics, 302 (2004) 135-141
- Prediction study of elastic properties under pressure effect for Zincblende BN, AlN, GaN and InN. M. B. Kanoun, A. E. Merad, G. Merad, J. Cibert, H. Aourag. Solid-State Electronics, 48 (2004) 1601-1606
- Properties of strained zinc-blende GaN : first-principles study. M. B. Kanoun, A. E. Merad, J. Cibert, H. Aourag, G. Merad Journal of Alloys and Compounds, ¬¬366 (2004) 86-93
- Hydrostatic pressure dependence of the direct gap, transverse effective charge and refractive index of CdTe system. E. Merad, M. B. Kanoun, J. Cibert and G. Merad. Journal of Electron Devices, 2 (2003) 31-33
- Molecular dynamics simulations of structural and thermodynamic properties of ZnTe using a three body potential. M. B. Kanoun, A. E. Merad, J. Cibert, H. Aourag, G. Merad Solid State Sciences, 5 (2003) 1211-1216
- Ab initio study of electronic properties of Zincblende AlN and deformation potentials under hydrostatic stress. E. Merad, M. B. Kanoun, J. Cibert, H. Aourag, G. Merad Materials Chemistry and Physics, 82 (2003) 471-477
- Stress-dependence tight binding study of tellurium-based II-VI semiconductors. E. Merad, M. B. Kanoun, J. Cibert, H. Aourag, G. Merad Physics Letters A, 315 (2003) 143-149
- Electronic and Optical Properties of CdTe Under Hydrostatic Pressure Effect. E. Merad, M. B. Kanoun, H. Aourag, J. Cibert and G. Merad. superlattices and microstructures. 32 (2002) 25-34
- Predictions of the bonding properties in Cd1-xZnxTe. E. Merad, H. Aourag, B. Khelifa, C. Mathieu and G. Merad. Superlattices and Microstructures, 30 (2001) 241-251
- Molecular-dynamics study of structural, elastic and thermodynamic properties of Cadmium Telluride. B. Kanoun, W. Sekkal, H. Aourag and G. Merad. Physics Letters A, 272 (2000) 113-118