Publications internationales des Equipes du laboratoire

Publications internationales des Equipes 2019

1. L. Beldi, H. Bendaoud, K.O. Obodo, B. Abbar, B. Bouhafs
   Density functional theory studies of the SrC and SrN compounds
   Materials Chemistry and Physics, Volume 237, 1 November 2019, 121875
   ISSN: 0254-0584 
2. M. Houari, B. Bouadjemi, M. Matougui, S. Haid, T. Lantri, Z. Aziz, S. Bentata, B. Bouhafs
   Optoelectronic properties of germanium iodide perovskites AGeI3 (A = K, Rb and Cs): first principles investigations 
   Optical and Quantum Electronics, July 2019, 51:234, First Online: 28 June 2019
   Print ISSN 0306-8919, Online ISSN 1572-817X
3. H. Bendaoud, K.O. Obodo, B. Bouhafs
   ​Predicted dynamically stable new phase for CrO2 compound: DFT + U calculations
   Computational Condensed Matter, Volume 21, December 2019, e00400
   ​ISSN: 2352-2143​
4. C. Benhalima, S. Amari, L. Beldi, and B. Bouhafs
   First-principles study of ferromagnetism in iron chromite spinels: FeCr2O4 and CrFe2O4
   SPIN, Vol. xx, No. xx (2019) xx, in press
   ​Print ISSN: 2010-3247, Online ISSN: 2010-3255
5. M. Houari, B. Bouadjemi, S. Haid, M. Matougui, T. Lantri, Z. Aziz, S. Bentata, B. Bouhafs
   Semiconductor behavior of halide perovskites AGeX3 (A = K, Rb and Cs; X = F, Cl and Br): first-principles calculations​
   Indian Journal of Physics, First Online: 04 May 2019
   Print ISSN0973-1458, Online ISSN0974-9845
6. O. Sebaa, Y. Zaoui, K. O. Obodo, L. Beldi, B. Bouhafs
   First-Principle Studies of Ferrimagnetic Double Perovskite Ca2FeMoO6 Compound
   Journal of Superconductivity and Novel Magnetism, First Online 12 March 2019
   ISSN:  1557-1939  (print version), 557-1947   (electronic version)​
7. S. Benatmane, B. Bouhafs
   Investigation of new d0 half-metallic full-heusler alloys N2BaX (X=Rb, Cs, Ca and Sr) using first-principle calculations
   Computational Condensed Matter, Available online 7 February 2019, e00371
   ISSN: 2352-2143​
8. S. Belhachi
   Stability, Electronic and Magnetic Properties of Rare Earth (Eu, Tm) Implanted InGaN
   Journal of Superconductivity and Novel Magnetism, First Online 04 January 2019
   ISSN:  1557-1939  (print version), 557-1947  (electronic version)​
9. D. Heciri, H. Belkhir, R. Belghit, B. Bouhafs, R. Khenata, R. Ahmed, A. Bouhemadou, T. Ouahrani, Xiaotian Wang, S. Bin Omran
   Insight into the structural, elastic and electronic properties of tetragonal inter-alkali metal chalcogenides CsNaX (X=S, Se, and Te) from first-principles calculations
   Materials Chemistry and Physics, Volume 221, 1 January 2019, Pages 125-137
   ISSN: 0254-0584​​
10. O. Akel, B. Abbar, Z. F. Meghoufel, H. Abbassa, M. Benkadour Benatia
    First-principles study of structural, elastic, electronic, and thermal properties of the ternary intermetallic GdTiGe and GdTiSi
    Hyperfine Interactions, First Online: 28 January 2019
    ISSN: 0304-3843 (Print)  1572-9540 (Online) 
11. N. Abbouni, S. Amari, H. Sadouki, A. Belkadi, Y. Zaoui, K. O. Obodo, L. Beldi and B. Bouhafs 
    Ab-initio prediction of intrinsic half-metallicity in binary alkali-metal chalcogenides: KX (X=S, Se and Te)
    SPIN, Vol. 8, No. 4 (2019) 1850020
    ​Print ISSN: 2010-3247, Online ISSN: 2010-3255

Publications internationales des Equipes 2018

1. A. Belkadi, K.O. Obodo, Y. Zaoui, H. Moulkhalwa, L. Beldi and B. Bouhafs
   First-Principles Studies of Structural, Electronic and Magnetic Properties of the CrS, CrSe and CrTe Compounds
   SPIN, Vol. 8, No. 4 (2018) 1850019
   Print ISSN: 2010-3247, Online ISSN: 2010-3255
2. ​S. Belhachi
   Electronic Structure for Europium Chalcogenides with Modified Becke–Johnson Potential Plus an On-Site Coulomb U (mBJ+U) 
   SPIN, Vol. 8, No. 4 (2018) 1850015
   ​Print ISSN: 2010-3247, Online ISSN: 2010-3255
3. M. Matougui, B. Bouadjemi, M. Houari, S. Haid, T. Lantri, A. Zitouni, S. Bentata, B. Bouhafs, Z. Aziz
   Rattling Heusler Semiconductors ʹThermoelectric Properties: First-principles prediction
   Chinese Journal of Physics, Available online 8 December 2018, In Press
   ISSN: 0577-9073
4. L. Beldi, H. Bendaoud, K. O. Obodo, B. Abbar, B. Bouhafs
   Prediction of a Dynamically Stable New Half-Metallic Phase for the BaN and BaC Compounds
   Journal of Superconductivity and Novel Magnetism, First Online: 20 November 2018
   ISSN:  1557-1939  (print version), 557-1947  (electronic version)​
5. S. Benatmane, L. Beldi, H. Bendaoud, S. Méçabih, B. Abbar, B. Bouhafs
   Spin-polarized optical properties of half-metallic binary XBi (X = Ca, Sr and Ba) compounds in zinc blende and wurtzite phases
   Indian Journal of Physics, First Online: 15 November 2018
   Print ISSN0973-1458, Online ISSN0974-9845
6. O. Sebaa, Y. Zaoui, K.O. Obodo, H. Bendaoud, L. Beldi and B. Bouhafs
   First-principle calculations of the structure and magnetic phases of FeAs2 compound under pressure
   SPIN, Vol. 8, No. 4 (2018) 1850016
   Print ISSN: 2010-3247, Online ISSN: 2010-3255
7. L. Beldi, H. Bendaoud, K.O. Obodo, B. Bouhafs, S. Méçabih, B. Abbar
   First-principles study of the electronic structure, magnetism, and phonon dispersions for CaX (X = C, N) compounds
   Computational Condensed Matter, Volume 17, December 2018, e00336
   ISSN: 2352-2143 e00336
8. B. Khalfallah, F.Z. Driss-Khodja, F. Saadaoui, M. Driss-Khodja, A. Boudali, H. Bendaoud, B. Bouhafs
   A first-principles study of the structural, elastic, electronic, vibrational, and optical properties of BaSe1−xTex
   Journal of Computational Electronics, December 2018, Volume 17, Issue 4, pp 1478–1491
   ISSN: 1569-8025 (Print)  1572-8137 (Online)
9. A. Benmakhlouf, Y. Bourourou, A. Bouhemadoud, A. Bentabet, F. Khemloul, S. Maabed, M. Bouchenafa, I. Galanakis
   ​Structural, electronic and magnetic properties of the manganese telluride layers AMnTe2 (A = K, Rb, Cs) from first-principles calculations
   Journal of Magnetism and Magnetic Materials, Volume 465, 1 November 2018, Pages 430-436
   ​ISSN: 0304-8853
10. S. Belhachi and S. Amari
    A DFT study of the electronic and magnetic properties of Cu2Cr1-xVxGa alloys
    International Journal of Computational Materials Science and Engineering, Accepted: 06 August 2018 
    Print ISSN: 2047-6841, Online ISSN: 2047-685X 
11. M. Adjal, S. Méçabih, B. Abbar, B. Bouhafs
    Ab-initio investigation of structural, electronic, magnetic, and thermodynamic properties of XPt3 (X=V, Cr, Mn, and Fe) intermetallic compounds
    Computational Condensed Matter, Volume 16, September 2018, e00328,
    ISSN: 2352-2143 
12. S. Belhachi, A. Lazreg and B. Bouhafs
    A computational study of the Electronic and Magnetic Properties of Rare Earth (Er) doped InGaN
    SPIN, Vol. 08, No. 03, 1850011 (2018)
    Print ISSN: 2010-3247, Online ISSN: 2010-3255
13. H. Sadouki, A. Belkadi, Y. Zaoui, L. Beldi, B. Bouhafs, S. Méçabih, B. Abbar
    Ab-initio prediction of half-metallicity in Lithium chalcogenides compounds LiX (X=S, Se and Te) in zinc-blende and wurtzite structures
    Computational Condensed Matter, Volume 16, September 2018, e00318
    ISSN: 2352-2143
14. H. Benaissa, H. Bendaoud, S. Amari, K.O. Obodo, L. Beldi, B. Bouhafs
    Electronic and mechanical properties of MgN compound: prediction of stable half-metallic ferromagnet in NaCl and ZB phases
    Journal of Magnetism and Magnetic Materials, Volume 466, 15 November 2018, Pages 28-37
    ISSN: 0304-8853
15. S. Belhachi, S. Amari, B. Bouhafs
    Electronic Structure and Magnetic Ordering in Gadolinium doped AlGaN from LSDA+U calculations
    International Journal of Computational Materials Science and Engineering, Vol. 07, No. 03, 1850019 (2018)
    Print ISSN: 2047-6841, Online ISSN: 2047-685X 
16. H. Moulkhalwa, Y. Zaoui, K. O. Obodo, A. Belkadi, L. Beldi, B. Bouhafs 
    Half-Metallic and Half-Semiconductor Gaps in Cr-Based Chalcogenides: DFT + U Calculations
    Journal of Superconductivity and Novel Magnetism, First Online: 01 June 2018
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)​
17. H. Sadouki, A. Belkadi, Y. Zaoui, S. Amari, K. O. Obodo, L. Beldi, B. Bouhafs
    Prediction of half-metallicity in the NaS, NaSe and NaTe alkali-metal chalcogenides using first principles
    International Journal of Computational Materials Science and Engineering, Vol. 07, No. 03, 1850015 (2018)
    Print ISSN: 2047-6841, Online ISSN: 2047-685X 
18. H. Benaissa, S. Benatmane, S. Amari, K. O. Obodo, L. Beldi, H. Bendaoud, B. Bouhafs
    Ferromagnetism in RaBi with zinc-blende and wurtzite structures: ab-initio prediction
    SPIN, Vol. 8, No. 2 (2018) 1850008
    Print ISSN: 2010-3247, Online ISSN: 2010-3255
19. M. Houari, B. Bouadjemi, A. Abbad, W. Benstaali, S. Haid, T. Lantri, A. Zitouni, S. Bentata, B. Bouhafs, Z. Aziz
    Structural, electronic and optical properties of cubic fluoroelpasolite Cs2NaYF6 by density functional theory
    Chinese Journal of Physics, Volume 56, Issue 4, August 2018, Pages 1756-1763
    ISSN: 0577-9073
20. S. Haid, B. Bouadjemi, S. Bentata, T. Lantri, A. Çoruh, A. Zitouni, B. Bouhafs, Z. Aziz
    Magnetic, Optoelectronic, and Thermodynamic Properties of Sr2CrXO6 (X = La and Y): Half-Metallic and Ferromagnetic Behavior
    Journal of Superconductivity and Novel Magnetism, December 2018, Volume 31, Issue 12, pp 3965–3979
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
21. S. Terkhi, S. Bentata, Z. Aziz, T. Lantri, B. Abbar 
    First principle calculations of structural, electronic and magnetic properties of cubic GdCrO3 Perovskite
    Indian Journal of Physics, July 2018, Volume 92, Issue 7, pp 847–854
    Print ISSN0973-1458, Online ISSN0974-9845
22. I.E. Yahiaoui, A. Lazreg, Z. Dridi, Y. Al-Douri, B. Bouhafs
    Gd impurities effect on Co2CrSi alloy: first-principle calculations
    Bulletin of Materials Science, February 2018, 41:2
    ISSN:  0250-4707  (print version), ISSN:  0973-7669  (electronic version)
23. ​S. Belhachi
    The effect of d and f states of ytterbium on the electronic and magnetic properties of Al1−xYbxN: DFT+U study
    International Journal of Modern Physics B 32, 1850119 (2018)
    Print ISSN: 0217-9792, Online ISSN: 1793-6578
24. S. Benatmane, H. Bendaoud, L. Beldi, B. Bouhafs, S. Méçabih, B. Abbar 
    Prediction of half-metallic properties in non-transition metal-based binary compounds XBi (X = Ba, Sr and Ca) with zinc-blende and wurtzite structures
    Journal of Superconductivity and Novel Magnetism, September 2018, Volume 31, Issue 9, pp 2767–2776
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
25. ​Y. Bourourou, S. Amari, I.E Yahiaoui, B. Bouhafs
    First principles predictions of electronic and elastic properties of BaPb2As2 in the ThCr2Si2-type structure.
    Physica C: Superconductivity and its Applications, Volume 544, 15 January 2018, Pages 18-21
    ISSN: 0921-4534 
26. Nadjem Bailek, Kada Bouchouicha, Zaki Al-Mostafa, Mohamed El-Shimy, Nouar Aoun, Abdeldjalil Slimani, Saad Al-Shehri
    A new empirical model for forecasting the diffuse solar radiation over Sahara in the Algerian Big South
    Renewable Energy, Volume 117, March 2018, Pages 530-537
    ISSN: 0960-1481​
27. S. Belhachi, A. Lazreg, Z. Dridi, Y. Al-Douri
    Electronic and Magnetic Investigations of Rare-Earth Tm-doped AlGaN Ternary Alloy
    Journal of Superconductivity and Novel Magnetism, June 2018, Volume 31, Issue 6,  pp 1767–1771
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
28. S. Belhachi
    Accurate bandgap of ZrxAl1−xN using modified Becke–Johnson (mBJ) exchange potential
    Journal of Superconductivity and Novel Magnetism, May 2018, Volume 31, Issue 5, pp 1545–1548
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
29. S. Belhachi
    Electronic and magnetic properties of Ru2FeSi1−xGex alloys in B2 structure: a First-principle study
    Journal of Superconductivity and Novel Magnetism, April 2018, Volume 31, Issue 4, pp 1155–1159
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
30. D. Chenine, Z. Aziz, W. Benstaali, B. Bouadjemi, O. Youb, T. Lantri, B. Abbar, S. Bentata
    Theoretical investigation of half-Metallic ferromagnetism in sodium-based Fluoro-perovskite NaXF3 (X = V, Co)
    Journal of Superconductivity and Novel Magnetism, January 2018, Volume 31, Issue 1, pp 285–295
    ​ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)

Publications internationales des Equipes 2017

1. A. Djefal, S. Amari, K. O. Obodo, L. Beldi, H. Bendaoud, B. Bouhafs
   First-principles prediction of insulating antiferromagnet in ordered Double-Perovskite Ca2MnMoO6 compound
   International Journal of Computational Materials Science and Engineering, Volume 06, Issue 04, December 2017
   Print ISSN: 2047-6841, Online ISSN: 2047-685X 
2. L. Seddik, S. Amari, K. O. Obodo, L. Beldi, H. I. Faraoun, B. Bouhafs
   Structural stability, electronic and magnetic properties of (Ni1-xCox)2MnSn quaternary Heusler alloys
   SPIN, Vol. 7, No. 4 (2017) 1750010 (7 pages).
   Print ISSN: 2010-3247, Online ISSN: 2010-3255
3. A. Djefal, S. Amari, K. O. Obodo, L. Beldi, H. Bendaoud, R. F. L. Evans, B. Bouhafs
   Half-metallic ferromagnetism in double perovskite Ca2CoMoO6 compound: DFT+U calculations
   SPIN, Vol. 7, No. 4 (2017) 1750009 (9 pages).
   Print ISSN: 2010-3247, Online ISSN: 2010-3255
4. Y. Zidi, S. Méçabih, B. Abbar, S. Amari
   Structural, elastic and electronic properties of transition metal carbides ZnC, NbC and their ternary alloys ZnxNb1−xC
   Physica B: Condensed Matter, Volume 531, 15 February 2018, Pages 196-205
   ISSN: 0921-4526
5. I. E. Yahiaoui, A. Lazreg, Z. Dridi, Y. Al-Douri, B. Bouhafs
   Electronic and Magnetic Properties of Co2CrGa1−xSix Heusler Alloys.
   Journal of Superconductivity and Novel Magnetism, February 2017, Volume 30, Issue 2, pp 421–424
   ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
6. A. Reggad, R. Lardjani, R. Baghdad, B. Bouhafs
   The Effect of the correlation and exchange interactions on the electronic and magnetic properties of the hexagonal NiS using the onsite exact exchange/hybrid funtionals
   Physica B: Condensed Matter, Volume 526, 1 December 2017, Pages 89-95
   ISSN: 0921-4526
7. S. Amari, I.E. Yahiaoui, Y. Bourourou
   Electronic and magnetic properties of antiferromagnetic TbAs via modified Becke Johnson potential plus an on-site Coulomb U
   Physica B: Condensed Matter, Volume 515, 15 June 2017, Pages 112–117
   ISSN: 0921-4526
8. M. Rezaiguia, W. Benstaali, A. Abbad, S. Bentata, B. Bouhafs
   GGA + U Study of Electronic and Magnetic Properties of Pr(Fe/Cr)O3 Cubic Perovskites
   Journal of Superconductivity and Novel Magnetism, September 2017, Volume 30, Issue 9, pp 2581–2590
   ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
9. S. Cherid, W. Benstaali, A. Abbad, S. Bentata, T. Lantri, B. Abbar
   Theoretical prediction of half metallic ferromagnetic full-Heusler alloys Cs2CrGe
   Solid State Communications, Volume 260, July 2017, Pages 14-18
   ISSN: 0038-1098
10. H Rekab-Djabri, S Louhibi-Fasla, S Amari, S Bahlouli, M Elchikh
    Structural and electronic properties of CuxAg1-xCl: First-principles study
    The European Physical Journal Plus 132 (11), 471 (2017)
    Online ISSN2190-5444
11. H. Belhadj, M. Ameri, B. Abbar, N. Moulay, A.Z. Bouyakoub, O. Arbouche, D. Bensaid, I. Ameri, S. Mesbah, Y. Al-Douri
    Optical properties of (Pb1-xMnxS)1-yFey materials from first-principles calculations
    Chinese Journal of Physics, Volume 55, Issue 3, June 2017, Pages 1032-1043
    ISSN: 0577-9073

Publications internationales des Equipes 2016

1. F. Benosman, Z. Dridi, Y. Al-Douri, B. Bouhafs
   Investigated electronic structure and magnetic ordering of rare earth impurities (Eu, Gd) in ZnO.
   International Journal of Modern Physics B, Volume 30, Issue 31, 20 December 2016
   Print ISSN: 0217-9792, Online ISSN: 1793-6578
2. A Gueddouh, B Bentria, IK Lefkaier, Y. Bourourou 
   Effect of spin polarization on the structural properties and bond hardness of FexB (x = 1, 2, 3) compounds first-principles study
   Bulletin of Materials Science, October 2016, Volume 39, Issue 6, pp 1427–1434
   ISSN: 0250-4707 (Print) 0973-7669 (Online)
3. M. Bousmaha, M.A. Bezzerrouk, R. Baghdad, K. Chebbah, B. Kharroubi, and B. Bouhafs
   Realization of p-Type Conductivity in ZnO via Potassium Doping.
   ACTA PHYSICA POLONICA A, 2016 vol. 129, issue 6, 1155-1158
   ISSN: 0587-4246
4. S. Amari and B. Bouhafs
   Ab initio full-potential study of mechanical properties and magnetic phase stability of californium monopnictides (CfN and CfP).
   Journal of Nuclear Materials, Volume 478, September 2016, Pages 149-157
   ISSN: 0022-3115
5. S. Amari and B. Bouhafs
   Electronic, elastic, and magnetic properties of the full-Heusler with the 4d transition metal element, Co2YSi, Co2ZrSi, and Co2Y0.5Zr0.5Si: A first-principle study.
   Journal of Superconductivity and Novel Magnetism, September 2016, Volume 29, Issue 9,  pp 2311–2317
   ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
6. T. Lantri, S. Bentata, B. Bouadjemi, W. Benstaali, B. Bouhafs, A. Abbad, A. Zitouni
   Effect of Coulomb interactions and Hartree-Fock exchange on structural, elastic, optoelectronic and magnetic properties of Co2MnSi Heusler: A comparative study.
   Journal of Magnetism and Magnetic Materials, Volume 419, 1 December 2016, Pages 74-83
   ISSN: 0304-8853
7. K. Benyelloul, L. Seddik, Y. Bouhadda, M. Bououdina, N. Fenineche, H. Aourag, B. Bouhafs
   A datamining approach to predict the formation enthalpy for rare-earth dihydrides REH2 (RE = Ce,Pr,Dy).
   International Journal of Hydrogen Energy, Volume 41, Issue 26, 13 July 2016, Pages 11254-11263
   ISSN: 0360-3199
8. M. Torrichi, M. Ferhat, B. Bouhafs
   Ferromagnetism in 4H-GaN polytype doped by non-magnetic light elements Li, Be, B, C, O, F, Ne, Na, and Mg: Ab-initio study.
   Journal of Magnetism and Magnetic Materials,  Volume 414, 15 September 2016, Pages 153–157
   ISSN: 0304-8853
9. A. Lekhal, F. Z. Benkhelifa, S. Méçabih, B. Abbar, and B. Bouhafs
   Structural and electronic properties of non-magnetic intermetallic YAuX (X = Ge and Si) in hexagonal and cubic phases.
   Bulletin of Materials Science, February 2016, Volume 39, Issue 1, pp 195-200
   ISSN:  0250-4707  (print version), ISSN:  0973-7669  (electronic version)
10. Kh. Dine, A. Zaoui, A. Benidris, M. Bejar, M. Ameri, A. Boukortt, B. Bouhafs
    Fermi Surfaces of Compensated and Uncompensated Metals: GGA+U+SO Comparative Ab Initio StudyJournal of Superconductivity and Novel Magnetism, August 2016, Volume 29, Issue 8,  pp 2195–2201
    ISSN:  1557-1939  (print version), ISSN:  1557-1947  (electronic version)
11. A. Benkabou, H. Bouafia, B. Sahli, B. Abidri, M. Ameri, S. Hiadsi, D. Rached, B. Bouhafs, N. Benkhettou, Y. Al-Douri
    Structural, elastic, electronic and thermodynamic investigations of neptunium chalcogenides: First-principles calculations.
    Chinese Journal of Physics, Volume 54, Issue 1, February 2016, Pages 33-41
    ISSN: 0577-9073

Publications internationales des Equipes 2015

1. R. Zine El-Kelma, L. Beldi, F. El Haj Hassan, G. Murtaza, R. Khenata, M. S. Abu-Jafar, S. Bin Omran, and B. Bouhafs
Magnetic ordering and electronic structure of the ternary iron arsenide BaFe2As2
International Journal of Modern Physics B, Vol. 29 (2015) 1550182
ISSN: Print ISSN: 0217-9792, Online ISSN: 1793-6578

2. M.A. Bezzerrouk, M. Hassan, R. Baghdada, S. Reguieg, M. Bousmaha, B. Kharroubi, B. Bouhafs
Thermodynamic, structural and electronic, properties of SnO2: By GGA and GGA + trans-blaha-modified Becke–Johnson (TB-mBJ) calculation
Superlattices and Microstructures, Volume 84, August 2015, Pages 80–90

3. M. Belkhouane, S. Amari, A. Yakoubi, A. Tadjer, S. Méçabih, G. Murtaza, S. Bin Omran, R. Khenata
First-principles study of the electronic and magnetic properties of Fe2MnAl, Fe2MnSi and Fe2MnSi0.5Al0.5
Journal of Magnetism and Magnetic Materials, Volume 377, 1 March 2015, Pages 211-214
ISSN: 0304-8853

4. B. Hamri, B. Abbar, A. Hamri, O. Baraka, A. Hallouche, A. Zaoui
Electronic structure and mechanical properties of X2MnSn (X = Cu, Ni, Pd) under hydrostatic pressure: GGA+U calculations
Computational Condensed Matter, Volume 3, June 2015, Pages 14–20

5. F. Dahmane, D. Mesri, B. Doumi, A. Tadjer, B. Abbar, A. Yakoubi, M. Boutaleb, H. Aourag
Ab Initio Investigation of Half-Metallic Behaviour in the Full-Heusler X2 MnGe (X = Sc, Fe, Ni)
Journal of Superconductivity and Novel Magnetism, July 2015, Volume 28, Issue 7, pp 2063-2069

6. A. Hamri, Z. Dridi, B. Hamri, A. Hallouche
Ru2Ti1-xFexGe: Novel candidate for the spintronic applications
International Journal of Modern Physics B, Volume 29, Issue 09, 10 April 2015
Print ISSN: 0217-9792, Online ISSN: 1793-6578

Publications internationales des Equipes 2014

1. Y. Bourourou, L. Beldi, B. Bentria, A. Gueddouh, B. Bouhafs
Structure and magnetic properties of the 3d transition-metal mono-borides TM–B (TM=Mn, Fe, Co) under pressures 
Journal of Magnetism and Magnetic Materials, Volume 365, September 2014, Pages 23-30 ISSN: 0304-8853

2. F.Z. Benkhelifa, A. Lekhal, S. Méçabih, B. Abbar, B. Bouhafs
Electronic structure, magnetic and thermal properties of Rh2MnZ (Z=Ge, Sn, Pb) compounds under pressure from ab-initio quasi-harmonic method
Journal of Magnetism and Magnetic Materials, Volume 371, December 2014, Pages 130-134
ISSN: 0304-8853

3. S. Amari, S. Méçabih, B. Abbar, B. Bouhafs
First-principle study of structural, elastic and electronic properties of Th monopnictides
Journal of Nuclear Materials, Volume 454, Issues 1–3, November 2014, Pages 186-191

4. F. Benosman, N. Benosman, S. Méçabih, P. Ruterana, B. Abbar, B. Bouhafs
Positron energy levels in zinc chalcogenides ZnS, ZnSe, and ZnTe
Computational Materials Science, Volume 93, October 2014, Pages 22-28
ISSN: 0927-0256

4. Nadjet Metadjer, Lilia Beldi, Bachir Bouhafs and Pierre Ruterana
Electronic and magnetic properties of Fe2SiC
The European Physical Journal B (2014) 87: 240
ISSN: 1434-6028

5. A. Zitouni, Samir Bentata, W. Benstaali, B. Abbar
Ab-initio study of structural, electronic and magnetic properties of CdTe doped transition metal Co
Solid State Communications, Volume 190, July 2014, Pages 40-43
ISSN: 0038-1098

6. F. Dahmane, A. Tadjer, B. Doumi, D. Mesri, H. Aourag, A. Sayede
First principles study of the electronic structures and magnetic properties of transition metal-doped cubic indium nitride
Materials Science in Semiconductor Processing, Volume 21, May 2014, Pages 66-73
ISSN: 1369-8001

7. S. Medina, B. Bouhafs, P. Ruterana
Half metallic properties of the quaternary CuFe2GaSe4 chalcogenide compound
Computational Materials Science, Volume 85, 1 April 2014, Pages 159-163
ISSN: 0927-0256

8. S. Amari, R. Mebsout, S. Méçabih, B. Abbar, B. Bouhafs
First-principle study of magnetic, elastic and thermal properties of full Heusler Co2MnSi
Intermetallics, Volume 44, January 2014, Pages 26-30
ISSN: 0966-9795

Publications internationales des Equipes 2013

1. F. Dahmane, A. Tadjer, B. Doumi, D. Mesri, H. Aourag
   Structural, Electronic and Magnetic Properties of Zinc-Blende Ga1−xTMxN (TM = Cr, Mn, Fe, V)
   Journal of Superconductivity and Novel Magnetism, December 2013, Volume 26, Issue 12, pp 3339-3348
   Print ISSN: 1557-1939 Online ISSN: 1557-1947
2. Z. Nabi, S. Amari, S. Méçabih, A. Zaoui, B. Abbar, B. Bouhafs, R. Ahuja
   Ferromagnetism in CdOX (X = Mn and N) with and without intrinsic point defects: A density functional theory
   Results in Physics, Volume 3, 2013, Pages 205-208
3. B. Doumi, A. Tadjer, F. Dahmane, A. Djedid, A. Yakoubi, Y. Barkat, M. Ould Kada, A. Sayede, L. Hamada
   First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe
   Journal of Superconductivity and Novel Magnetism, November 2013
   Print ISSN: 1557-1939 Online ISSN: 1557-1947
4. N. Baki, S. Méçabih, H. Khachai, B. Abbar
   Spin-polarized electronic structure and magnetic properties of Ge1−xTMxTe (TM=Mn, Fe)
   Journal of Magnetism and Magnetic Materials, Volume 345, November 2013, Pages 222-229
   ISSN: 0304-8853
5. A. Djedid, B. Doumi, S. Méçabih, B. Abbar
   First-principles investigations of structural, elastic, electronic and magnetic properties of Ga1−x Mn x P and In1−x Mn x P
   Journal of Materials Science, September 2013, Volume 48, Issue 17, pp 6074-6082 
   ISSN: 0022-2461 (Print) 1573-4803 (Online)
6. A. Haddou, H. Khachai, R. Khenata, F. Litimein, A. Bouhemadou, G. Murtaza, Z.A. Alahmed, S. Bin-Omran, B. Abbar
   Elastic, optoelectronic, and thermal properties of cubic CSi2N4: an ab initio study
   Journal of Materials Science, August 2013
   ISSN: 0022-2461 (Print) 1573-4803 (Online)
7. M. Harmel, H. Khachai, M. Ameri, N. Baki, A. Haddou, M. Khalfa, B. Abbar, S. Bin Omran, G. Uğur, Ş Uğur, R. Khenata
   Full-Potential Calculation of Structural,  Electronic, and Thermodynamic Properties of Fluoroperovskite  CsMF3 (M = Be  and Mg)
   International Journal of Thermophysics, December 2012, Volume 33,  Issue 12, pp 2339-2350 
   ISSN: 0195-928X (Print) 1572-9567 (Online)
8. N. Seddiki, Tarik Ouahrani, B. Lasri, T. Benouaz, A.H. Reshak, B. Bouhafs
   Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
   Materials Science in Semiconductor Processing, Volume 16, Issue 6, December 2013, Pages 1454-1465
   ISSN: 1369-8001
9. B. Bouadjemi, S. Bentata, A. Abbad, W. Benstaali, B. Bouhafs
   Half-metallic ferromagnetism in PrMnO3 perovskite from first principles calculations
   Solid State Communications, Volume 168, August 2013, Pages 6-10
   ISSN: 0038-1098
10. B. Abbar, S. Méçabih, S. Amari, N. Benosman and B. Bouhafs
    Positron Energy Levels in Cd-Based Semiconductors 
    Communications in Theoretical Physics, Volume 59, Number 6, 756, June 2013
    ISSN 0253-6102 (Print)
11. R. Mebsout, S. Amari, S. Méçabih, B. Abbar, B. Bouhafs
    Spin-Polarized Calculations of Magnetic and Thermodynamic Properties of the Full-Heusler Co2MnZ (Z=Al, Ga)
    International Journal of Thermophysics, March 2013, Volume 34, Issue 3, pp 507-520
    ISSN: 0195-928X (Print) 1572-9567 (Online)
12. S. Amari, R. Mebsout, S. Méçabih, B. Abbar, B. Bouhafs 
    Correlation effects on the electronic structure of Co2Mn0.5Fe0.5Si and Co2Mn0.5Gd0.5Si quaternary alloys 
    Intermetallics, Volume 37, June 2013, Pages 27-31
    ISSN: 0966-9795
13. S. Amari, S. Méçabih, B. Abbar, B. Bouhafs 
    First-principles calculations of magnetic properties for CdCrO2 under pressure
    Journal of Magnetism and Magnetic Materials, Volume 327, February 2013, Pages 76-78
    ISSN: 0304-8853
14. R. Boulechfar, H. Meradji, S. Ghemid, S. Drablia, B. Bouhafs
    First principle calculations of structural, electronic and thermodynamic properties of Al3(TixV1−x) alloy in D022 and L12 structures
    Solid State Sciences, Volume 16, February 2013, Pages 1-5
    ISSN: 1293-2558
15. F. Z. Benkhelifa, A. Lekhal, S. Méçabih
    GGA and GGA+U Description of Structural, Magnetic, and Elastic Properties of Rh2MnZ (Z=Ge, Sn, and Pb)
    Journal of Superconductivity and Novel Magnetism, Published online December 2012
    Print ISSN: 1557-1939 Online ISSN: 1557-1947
16. B. Doumi, A. Tadjer, F. Dahmane, D. Mesri, H. Aourag
    Investigations of Structural, Electronic, and Half-metallic Ferromagnetic Properties in (Al, Ga, In)1−xMxN (M = Fe, Mn) Diluted Magnetic Semiconductors
    Journal of Superconductivity and Novel Magnetism, March 2013, Volume 26, Issue 3, pp 515-525
    Print ISSN: 1557-1939 Online ISSN: 1557-1947

Publications internationales des Equipes 2012

1. S. Amari, S. Méçabih, B. Abbar, B. Bouhafs
   Spin-polarized calculations of electronic structures in ferromagnetic and antiferromagnetic Zn0.75TM0.25Se (TM=Cr, Fe, Co and Ni)
   Journal of Magnetism and Magnetic Materials, Volume 324, Issue 18, September 2012, Pages 2800-2805
   ISSN: 0304-8853
2. S. Amari, S. Méçabih, B. Abbar, N. Benosman, B. Bouhafs
   The spin effect in zinc-blende CdEuS and CdEuSe: GGA and GGA+U studies
   Physica B: Condensed Matter, Volume 407, Issue 17, 1 September 2012, Pages 3639-3645
   ISSN: 0921-4526
3. A. Yakoubi, O. Baraka, B. Bouhafs
   Structural and electronic properties of the Laves phase based on rare earth type BaM2 (M = Rh, Pd, Pt)
   Results in Physics, Volume 2, 2012, Pages 58-65
4. M. Guemou, B. Bouhafs, A. Abdiche, R. Khenata, Y. Al Douri, S. Bin Omran
   First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys
   Physica B: Condensed Matter, Volume 407, Issue 8, 15 April 2012, Pages 1292-1300
   ISSN: 0921-4526

Publications internationales des Equipes 2011

1. M. Elouali, C. Beyens, F. Z. Elouali, O. Yaroshchuk, B. Abbar and U. Maschke
   Dispersions of Diamond Nanoparticles in Nematic Liquid Crystal/Polymer Materials
   Molecular Crystals and Liquid Crystals, Volume 545, Issue 1, 2011, pages 77/[1301]-84/[1308]
   ISSN: 1542-1406 print, 1563-5287 online
2. Malika Elouali, Christophe Beyens, Fatima Zohra Elouali, Oleg Yaroshchuk, Boucif Abbar and Ulrich Maschke
   Optical and Calorimetrical Studies of Liquid Crystalline Materials Doped with Nanoparticles
   Macromolecular Symposia, Volume 303, Issue 1, May 2011, Pages: 108–113.
   Online ISSN: 1521-3900
3. S. Amari, S. Méçabih, B. Abbar, B. Bouhafs
   Half-metallic ferromagnetism in ZnCrTe and CdCrTe: Ab initio study
   Computational Materials Science, Volume 50, Issue 10, August-September 2011, Pages 2785-2792.
   ISSN: 0927-0256
4. Z. Dridi, A. Lazreg, B. Bouhafs
   First-principles study of electronic  structure and magnetism of cubic Al1−xErxN using the LSDA+U approach
   Journal of Magnetism and Magnetic Materials, Volume 323, Issue 9, May 2011, Pages 1174-1178.
   ISSN: 0304-8853
5. F. Boukabrine, F. Chiker, H. Khachai, A. Haddou, N. Baki, R. Khenata, B. Abbar, A Khalfi
   Ab initio calculation of ZnSiAs2 and CdSiAs2 semiconductor compounds
   Physica B: Condensed Matter, Volume 406, Issue 2, 15 January 2011, Pages 169-176.
   ISSN: 0921-4526 

Publications internationales des Equipes 2010

1. N. Hamdad, B. Bouhafs
   Theoretical analysis of the spin effect on the electronic and magnetic properties of the calcium manganese oxide CaMnO3: GGA+U calculation.
   Physica B: Condensed Matter, Volume 405, Issue 22, 15 November 2010, Pages 4595-4606.
   ISSN: 0921-4526
2. R. Boulechfar, S. Ghemid, H. Meradji, B. Bouhafs
   FP-LAPW investigation of structural, electronic, and thermodynamic properties of Al3V and Al3Ti compounds.
   Physica B: Condensed Matter, Volume 405, Issue 18, 15 September 2010, Pages 4045-4050.
   ISSN: 0921-4526
3. N. Hamdad, N. Benosmane, B. Bouhafs
   First principles calculation of electronic structure, bonding and chemical stability of TiB2, NbB2 and their ternary alloy Ti0.5Nb0.5B2 .
   Physica B: Condensed Matter, Volume 405, Issue 2, 15 January 2010, Pages 540-546.
   ISSN: 0921-4526
4. S.A. Touat, F. Litimein, A. Tadjer, B. Bouhafs
   The spin effect in zinc-blende Cd0.5Mn0.5Te and Zn0.5Mn0.5Te diluted magnetic semiconductors: FP-LAPW study.
   Physica B: Condensed Matter, Volume 405, Issue 2, 15 January 2010, Pages 625-631.
   ISSN: 0921-4526
5. Z. Dridi, A. Lazreg, H. Rozale, B. Bouhafs
   Electronic structure and magnetism of cubic Ga1−xEuxN and Al1−xEuxN using the LSDA + U approach.
   Computational Materials Science, Volume 48, Issue 4, June 2010, Pages 743-748.
   ISSN: 0927-0256

Publications internationales des Equipes 2009

1. H. Meradji, S. Labidi, S. Ghemid, S. Drablia, B. Bouhafs
   First principles calculations of structural, electronic and optical properties of BAs1−xPx alloy.
   Physics Procedia, Volume 2, Issue 3, November 2009, Pages 933-940
   ISSN: 1875-3892
2. S. Drablia, H. Meradji, S. Ghemid, N. Boukhris, B. Bouhafs and G. Nouet
   Electronic and optical properties of BaO, BaS, BaSe, BaTe and BaPo compounds under hydrostatic pressure.
   Modern Physics Letters B, Vol. 23, No. 26 (2009) 3065-3079.
   Print ISSN: 0217-9849, Online ISSN: 1793-6640
3. S. Drablia, H. Meradji, S. Ghemid, S. Labidi and B. Bouhafs
   First principles calculations of structural, electronic, thermodynamic and optical properties of BAs1−xPx alloy.
   Physica Scripta 79 No 4 (April 2009) 045002.
   ISSN: 0031-8949 (Print) ISSN 1402-4896 (Online)
4. S. Amara Korba, H. Meradji, S. Ghemid, B. Bouhafs
   First principles calculations of structural, electronic and optical properties of BaLiF3.
   Computational Materials Science, Volume 44, Issue 4, February 2009, Pages 1265-1271
   ISSN: 0927-0256
5. A. Djedid, S. Méçabih, O. Abbes, B. Abbar
   Theoretical investigations of structural, electronic and thermal properties of Ti2AlX (X=C,N).
   Physica B: Condensed Matter, Volume 404, Issue 20, 1 November 2009, Pages 3475-3482
   ISSN: 0921-4526
6. A. Zaoui, M. Moussa, S. Kacimi, A. Boukortt, B. Bouhafs
   Electronic structure of new RENiAsO (RE = Rare Earth Elements) compounds: Ab initio spin-density functional theory.
   Superlattices and Microstructures, Volume 46, Issue 4, October 2009, Pages 533-540
   ISSN: 0749-6036
7. A. Zaoui, S. Kacimi, M. Zaoui, B. Bouhafs
   Theoretical investigation of electronic structure of PbSxTe1−x and PbSexTe1−x alloys.
   Materials Chemistry and Physics, Volume 114, Issues 2-3, 15 April 2009, Pages 650-655
   ISSN: 0254-0584
8. A. Zaoui, S. Kacimi, M. Zaoui, B. Bouhafs
   Vacancy effects on structural and electronic properties of 4d transition-metal carbides.
   Computational Materials Science, Volume 44, Issue 4, February 2009, Pages 1071-1075.
   ISSN: 0927-0256
9. Ahmed Djedid, Boucif Abbar and Oukacha Abbes
   First-principles calculations of structural, electronic and optical properties of Zinc-blende SixGe1-xC alloys.
   Turkish Journal of Physics, 33, (2009), 261-270.
   ISSN 1300-0101, Electronic ISSN 1303-6122

Publications internationales des Equipes 2008

1. F. Driss Khodja, A. Boudali, K. Amara, B. Amrani, A. Kadoun, B. Abbar
   LaBi under high pressure and high temperature: A first-principle study
   Physica B: Condensed Matter, Volume 403, Issues 23-24, 15 December 2008, Pages 4305-4308
   ISSN: 0921-4526
2. S. Méçabih, K. Benguerine, N. Benosman, B. Abbar, B. Bouhafs
   Generalized gradient calculations of magneto-electronic properties for diluted magnetic semiconductors ZnMnS and ZnMnSe
   Physica B: Condensed Matter, Volume 403, Issues 19-20, 1 October 2008, Pages 3452-3458
   ISSN: 0921-4526
3. S. Kacimi, A. Zaoui, B. Abbar, B. Bouhafs
   Ab initio study of cubic PbSxSe1−x alloys
   Journal of Alloys and Compounds, Volume 462, Issues 1-2, 25 August 2008, Pages 135-141
   ISSN: 0925-8388
4. Y. Azzaz, S. Kacimi, A. Zaoui, B. Bouhafs
   Electronic properties and stability of ZnO from computational study
   Physica B: Condensed Matter, Volume 403, Issue 18, 1 September 2008, Pages 3154-3158
   ISSN: 0921-4526
5. A. Lazreg, Z. Dridi, F. Benkabou, B. Bouhafs
   Electronic structure of cubic ErxGa1−xN using the LSDA+U approach
   Physica B: Condensed Matter, Volume 403, Issue 17, 1 August 2008, Pages 2702-2706
   ISSN: 0921-4526

Publications internationales des Equipes 2007

1. A. Yakoubi, L. Beldi, B. Bouhafs, M. Ferhat
   Structural, electronic and energetic properties of silicon carbon alloys
   Physica B: Condensed Matter, Volume 388, Issues 1-2, 15 January 2007, Pages 167-173
   ISSN: 0921-4526
2. B. Daoudi, A. Yakoubi, L. Beldi, B. Bouhafs
   Full-potential electronic structure of Hf2AlC and Hf2AlN
   Acta Materialia, Volume 55, Issue 12, July 2007, Pages 4161-4165
3. D. Heciri, L. Beldi, S. Drablia, H. Meradji, N.E. Derradji, H. Belkhir, B. Bouhafs
   First-principles elastic constants and electronic structure of beryllium chalcogenides BeS, BeSe and BeTe
   Computational Materials Science, Volume 38, Issue 4, February 2007, Pages 609-617
4. M. Ameri, D. Rached, M. Rabah, R. Khenata, N. Benkhettou, B. Bouhafs, M. Maachou
   Structural and electronic properties calculations of BexZn1−xSe alloy
   Materials Science in Semiconductor Processing, Volume 10, Issue 1, February 2007, Pages 6-13
5. R. Khenata, A. Bouhemadou, Ali. H. Reshak, R. Ahmed, B. Bouhafs, D. Rached, Y. Al-Douri, and M. Rérat
   First-principles calculations of the elastic, electronic, and optical properties of the filled skutterudites CeFe4P12 and ThFe4P12
   Phys. Rev. B 75, 195131 (2007)
6. S. Laref, S. Meçabih, B. Abbar, B. Bouhafs, A. Laref
   First-principle calculations of electronic and positronic properties of AlGaAs2
   Physica B: Condensed Matter, Volume 396, Issues 1-2, 15 June 2007, Pages 169-176
   ISSN: 0921-4526
7. H. Rozale, B. Bouhafs, P. Ruterana
   First-principles calculations of the optical band-gaps of ZnxCd1−xO alloys
   Superlattices and Microstructures, Volume 42, Issues 1-6, July-December 2007, Pages 165-171
   ISSN: 0749-6036
8. H. Rozale, L. Beldi, B. Bouhafs, P. Ruterana
   A theoretical investigation of ZnOx S1-x alloy band structure
   physica status solidi (b), Volume 244, Issue 5, Date: May 2007, Pages: 1560-1566
   Online ISSN: 1521-3951
9. D. Mesri, Z. Dridi, A. Tadjer
   First-principles investigation of lattice constants and bowing parameter in ZnSxSe1−x alloys
   Computational Materials Science, Volume 39, Issue 2, April 2007, Pages 453-456
   ISSN: 0927-0256

Publications internationales des Equipes 2006

1. A. Yakoubi, L. Beldi, B. Bouhafs, M. Ferhat, P. Ruterana
   Full-relativistic calculation of electronic structure of Zr2AlC and Zr2AlN
   Solid State Communications, Volume 139, Issue 9, September 2006, Pages 485-489
   ISSN: 0038-1098
2. F. Litimein, B. Bouhafs, G. Nouet, P. Ruterana
   Meta-GGA calculation of the electronic structure of group III-V nitrides
   physica status solidi (b), Volume 243, Issue 7, Date: June 2006, Pages: 1577-1582
   Online ISSN: 1521-3951
3. F. Litimein, B. Bouhafs, P. Ruterana
   Full-potential study of d-electrons effects on the electronic structure of wurtzite and zinc-blende InN
   physica status solidi (a), Volume 203, Issue 1, Date: January 2006, Pages: 35-41
4. R. Khenata, M. Sahnoun, H. Baltache, M. Rérat, D. Rached, M. Driz, B. Bouhafs
   Structural, electronic, elastic and high-pressure properties of some alkaline-earth chalcogenides: An ab initio study
   Physica B: Condensed Matter, Volume 371, Issue 1, 15 January 2006, Pages 12-19
   ISSN: 0921-4526
5. A. Lakdja, B. Bouhafs, P. Ruterana
   Full-potential electronic structure calculations of InN(AlN) layer embedded in GaN bulk
   physica status solidi (a), Volume 203, Issue 9, Date: July 2006, Pages: 2247-2253
6. K. Larbaoui, A. Tadjer, B. Abbar, H. Aourag, B. Khelifa, C. Mathieu
   State of the Art Simulations in Electronic Structure and Total Energy for the High Temperature Superconductor YBa2Cu3O7
   ChemInform, Volume 37, Issue 2, Date: January 10, 2006
7. A. Laref, S. Laref, B. Belgoumene, B. Bouhafs, A. Tadjer, and H. Aourag
   Electronic structure and optical properties of (ZnSe)n/(Si2)m (111) superlattices
   J. Appl. Phys. 99 043702 (2006)
8. K. Larbaoui, A. Tadjer, B. Abbar, H. Aourag, B. Khelifa, C. Mathieu
   Effect of oxygen deficiencies and the substitution of fluorine on the electronic states in YBa2Cu3O7−δ superconductors
   Journal of Alloys and Compounds, Volume 414, Issues 1-2, 13 April 2006, Pages 20-25
   ISSN: 0925-8388

Publications internationales des Equipes 2005

1. A. Yakoubi, B. Bouhafs, M. Ferhat, P. Ruterana
   Predictive study of electronic properties of silicon–carbon alloys
   Materials Science and Engineering: B, Volume 122, Issue 2, 15 September 2005, Pages 145-151
2. R. Khenata, M. Sahnoun, H. Baltache, M. Rérat, A.H. Rashek, N. Illes, B. Bouhafs
   First-principle calculations of structural, electronic and optical properties of BaTiO3 and BaZrO3 under hydrostatic pressure
   Solid State Communications, Volume 136, Issue 2, October 2005, Pages 120-125
   ISSN: 0038-1098
3. R. Khenata, M. Sahnoun, H. Baltache, M. Rérat, Ali H. Reshak, Y. Al-Douri, B. Bouhafs
   Full-potential calculations of structural, elastic and electronic properties of MgAl2O4 and ZnAl2O4 compounds
   Physics Letters A, Volume 344, Issues 2-4, 5 September 2005, Pages 271-279
4. R. Khenata, B. Daoudi, M. Sahnoun, H. Baltache, M. Rérat, A.H. Reshak, B. Bouhafs, H. Abid, M. Driz
   Structural, electronic and optical properties of fluorite-type compounds
   The European Physical Journal B 47 1 (2005) 63-70
5. Z. Bousahla, B. Abbar, B. Bouhafs, A. Tadjer
   Full potential linearized augmented plane wave calculations of positronic and electronic charge densities of zinc-blende AlN, InN and their alloy Al0.5In0.5N
   Journal of Solid State Chemistry, Volume 178, Issue 6, June 2005, Pages 2117-2127
6. M. Sahnoun, R. Khenata, H. Baltache, M. Rérat, M. Driz, B. Bouhafs, B. Abbar
   First-principles calculations of optical properties of GeC, SnC and GeSn under hydrostatic pressure
   Physica B: Condensed Matter, Volume 355, Issues 1-4, 31 January 2005, Pages 392-400
   ISSN: 0921-4526
7. A. Zaoui, S. Kacimi, A. Yakoubi, B. Abbar, B. Bouhafs
   Optical properties of BP, BAs and BSb compounds under hydrostatic pressure
   Physica B: Condensed Matter, Volume 367, Issues 1-4, 1 October 2005, Pages 195-204
   ISSN: 0921-4526
8. A. Zaoui, B. Bouhafs, P. Ruterana
   First-principles calculations on the electronic structure of TiCxN1−x, ZrxNb1−xC and HfCxN1−x alloys
   Materials Chemistry and Physics, Volume 91, Issue 1, 15 May 2005, Pages 108-115
9. A. Zaoui, S. Kacimi, B. Bouhafs, A. Roula
   First-principles study of bonding mechanisms in the series of Ti, V, Cr, Mo, and their carbides and nitrides
   Physica B: Condensed Matter, Volume 358, Issues 1-4, 15 April 2005, Pages 63-71
   ISSN: 0921-4526
10. A. Lakdja, B. Bouhafs, P. Ruterana
    Ordering effects on the electronic structures of AlN/GaN, InN/GaN and InN/AlN superlattices
    Computational Materials Science, Volume 33, Issues 1-3, April 2005, Pages 157-162
    ISSN: 0927-0256
11. Z. Dridi, B. Bouhafs, P. Ruterana
    First-principles study of cubic AlxGa1−xN alloys
    Computational Materials Science, Volume 33, Issues 1-3, April 2005, Pages 136-140
    ISSN: 0927-0256
12. A. Kellou, T. Grosdidier, A. Tadjer, C. Coddet, H. Aourag
    Ab initio study of the stability of X (X=Cr, Nb, Ag) ultra-thin layers on Cu(001)
    Thin Solid Films, Volume 489, Issues 1-2, 1 October 2005, Pages 344-349

Publications internationales des Equipes 2004

1. H. Meradji, S. Drablia, S. Ghemid, H. Belkhir, B. Bouhafs, A. Tadjer
   First-principles elastic constants and electronic structure of BP, BAs, and BSb
   physica status solidi (b), Volume 241, Issue 13, Date: November 2004, Pages: 2881-2885
   Online ISSN: 1521-3951
2. H. Baltache, R. Khenata, M. Sahnoun, M. Driz, B. Abbar, B. Bouhafs
   Full potential calculation of structural, electronic and elastic properties of alkaline earth oxides MgO, CaO and SrO
   Physica B: Condensed Matter, Volume 344, Issues 1-4, 15 February 2004, Pages 334-342
   ISSN: 0921-4526
3. F. Chiker, B. Abbar, S. Bresson, B. Khelifa, C. Mathieu, A. Tadjer
   The reflectivity spectra of ZnXP2 (X=Si, Ge, and Sn) compounds
   Journal of Solid State Chemistry, Volume 177, Issue 11, November 2004, Pages 3859-3867
4. F. Chiker, B. Abbar, A. Tadjer, S. Bresson, B. Khelifa, C. Mathieu
   Electronic structure and optical properties of ternary CdXP2 semiconductors (X=Si, Ge and Sn) under pressure
   Physica B: Condensed Matter, Volume 349, Issues 1-4, 15 June 2004, Pages 181-191
   ISSN: 0921-4526
5. F. Chiker, B. Abbar, H. Aourag, A. Tadjer, S. Bresson, B. Khelifa, C. Mathieu
   Ab initio total energy calculations of the optical properties of the CdSnP2 ternary pnictide semiconductor
   Chemical Physics, Volume 298, Issues 1-3, 8 March 2004, Pages 135-140
6. Z. Bousahla, B. Abbar, B. Bouhafs and A. Tadjer
   Theoretical studies of the angular correlation of positron annihilation in Al1-xInxN
   physica status solidi (b), Volume 241, Issue 4, March 2004, Pages: 876–884
   Online ISSN: 1521-3951
7. F. Chiker, B. Abbar, B. Bouhafs and P. Ruterana
   Interband transitions of wide-band-gap ternary pnictide BeCN2 in the chalcopyrite structure
   physica status solidi (b), Volume 241, Issue 2, February 2004, Pages: 305–316
   Online ISSN: 1521-3951
8. M. Belhadj, A. Tadjer, B. Abbar, Z. Bousahla, B. Bouhafs, H. Aourag
   Structural, electronic and optical calculations of Cu(In,Ga)Se2 ternary chalcopyrites
   physica status solidi (b), Volume 241, Issue 11, Date: September 2004, Pages: 2516-2528
   Online ISSN: 1521-3951
9. F. Drief, A. Tadjer, D. Mesri, H. Aourag
   First principles study of structural, electronic, elastic and optical properties of MgS, MgSe and MgTe
   Catalysis Today, Volume 89, Issue 3, 30 March 2004, Pages 343-355
10. Z. Dridi, B. Bouhafs, and P. Ruterana
    Strong dependence of the fundamental band gap on the alloy composition in cubic InxGa1-xN and InxAl1-xN alloys
    Mat. Res. Soc. Symp. Proc. 798, Y5.69 (2004).

Publications internationales des Equipes 2003

1. T. Amriou, B. Bouhafs, H. Aourag, B. Khelifa, S. Bresson, C. Mathieu
   FP-LAPW investigations of electronic structure and bonding mechanism of NbC and NbN compounds
   Physica B: Condensed Matter, Volume 325, January 2003, Pages 46-56
   ISSN: 0921-4526
2. B. Bouhafs, F. Litimein, Z. Dridi, P. Ruterana
   Theoretical analysis of d electron effects on the electronic properties of wurtzite and zincblende GaN
   physica status solidi (b), Volume 236, Issue 1, Date: March 2003, Pages: 61-81
   Online ISSN: 1521-3951
3. Y. Chibane, B. Bouhafs, M. Ferhat
   Unusual structural and electronic properties of SnxGe1-x alloys
   physica status solidi (b), Volume 240, Issue 1, Date: November 2003, Pages: 116-119
   Online ISSN: 1521-3951
4. M. Rabah, B. Abbar, Y. Al-Douri, B. Bouhafs, B. Sahraoui
   Calculation of structural, optical and electronic properties of ZnS, ZnSe, MgS, MgSe and their quaternary alloy Mg1−xZnxSySe1−y
   Materials Science and Engineering B, Volume 100, Issue 2, 15 July 2003, Pages 163-171
5. M. Rabah, B. Sahraoui, B. Bouhafs, B. Abbar, H. Abid
   Theoretical analysis of disorder effects on electronic and optical properties of the quaternary alloy In1-xGaxAsySb1-y epilayer on GaSb and InAs
   physica status solidi (b) Volume 238, Issue 1, Date: July 2003, Pages: 156-172
   Online ISSN: 1521-3951
6. A. Boukortt, B. Abbar, H. Abid, M. Sehil, Z. Bensaad, B. Soudini
   Calculation of electronic and optical properties of the quaternary alloys Zn1-xCdxSySe1-y
   Materials Chemistry and Physics, Volume 82, Issue 3, 20 December 2003, Pages 911-920
7. D. Rached, N. Benkhettou, B. Soudini, B. Abbar, N. Sekkal and M. Driz
   Electronic structure calculations of magnesium chalcogenides MgS and MgSe
   physica status solidi (b), Volume 240, Issue 3, December 2003, Pages: 565–573
   Online ISSN: 1521-3951
8. R. Khenata, H. Baltache, M. Rérat, M. Driz, M. Sahnoun, B. Bouhafs, B. Abbar
   First-principle study of structural, electronic and elastic properties of SrS, SrSe and SrTe under pressure
   Physica B: Condensed Matter, Volume 339, Issue 4, 15 December 2003, Pages 208-215
   ISSN: 0921-4526
9. R. Khenata, H. Baltache, M. Sahnoun, M. Driz, M. Rérat, B. Abbar
   Full potential linearized augmented plane wave calculations of structural and electronic properties of GeC, SnC and GeSn
   Physica B: Condensed Matter, Volume 336, Issues 3-4, August 2003, Pages 321-328
   ISSN: 0921-4526
10. F. Chiker, B. Abbar, A. Tadjer, H. Aourag, B. Khelifa
    Full potential calculation of structural, electronic and optical properties of CdSiP2 and CdGeP2
    Materials Science and Engineering B, Volume 98, Issue 2, 15 March 2003, Pages 81-88
11. Z Dridi, B Bouhafs and P Ruterana
    First-principles investigation of lattice constants and bowing parameters in wurtzite AlxGa1-xN, InxGa1-xN and InxAl1-xN alloys
    Semicond. Sci. Technol. 18 No 9 (September 2003) 850-856
12. B. Bouhafs, A. Lakdja, P. Ruterana
    First-principles calculations of the structural and electronic properties of the III-nitrides-based superlattices
    Physica E: Low-dimensional Systems and Nanostructures, Volume 17, April 2003, Pages 235-237
13. A. Kellou, N. E. Fenineche, A. Tadjer, H. Aourag
    Ferromagnetic and antiferromagnetic couplings in Cr(0 0 1) thin films and TM monolayer/Cr(0 0 1) (TM = Ti, V, Cr, Mn, Fe, Co, Ni)
    Materials Chemistry and Physics, Volume 80, Issue 1, 29 April 2003, Pages 215-221
14. A. Kellou, Z. Nabi, A. Tadjer, N. Amrane, N. Fenineche, H. Aourag
    Electronic study of FeTi, CoTi, and NiTi alloys: bulk, surfaces, and interfaces
    physica status solidi (b), Volume 239, Issue 2, Date: October 2003, Pages: 389-398
    Online ISSN: 1521-3951
15. K. Benyahia, Z. Nabi, A. Tadjer, A. Khalfi
    Ab initio study of the structural and electronic properties of the complex structures of RuO2
    Physica B: Condensed Matter, Volume 339, Issue 1, November 2003, Pages 1-10
    ISSN: 0921-4526
16. A. Kellou, Z. Nabi, A. Tadjer, N. Amrane, N. Fenineche, H. Aourag
    Electronic study of FeTi, CoTi, and NiTi alloys: bulk, surfaces, and interfaces
    physica status solidi (b), Volume 239, Issue 2, Date: October 2003, Pages: 389-398
    Online ISSN: 1521-3951
17. D. Rached, N. Benkhettou, B. Soudini, B. Abbar, N. Sekkal and M. Driz
    Electronic structure calculationsof magnesium chalcogenides MgS and MgSe
    physica status solidi (b) Volume 240, Issue 3, December 2003, Pages: 565–573
18. Z. Nabi, A. Kellou, S. Méçabih, A. Khalfi, N. Benosman
    Opto-electronic properties of rutile SnO2 and orthorhombic SnS and SnSe compounds
    Materials Science and Engineering: B, Volume 98, Issue 2, 15 March 2003, Pages 104-115
19. Y. Al-Douri, S. Meçabih, N. Benosman, H. Aourag
    Pressure effect on electronic and positron charge densities of Zn0.5Cd0.5Se
    Physica B: Condensed Matter, Volume 325, January 2003, Pages 362-371
    ISSN: 0921-4526
20. Z. Dridi, B. Bouhafs, and P. Ruterana
    Effect of Pressure on the energy band gaps of InxGa1-xN and InxAl1-xN
    Mat. Res. Soc. Symp. Proc., 743, L11.25.1 (2003)

Publications internationales des Equipes 2002

1. F. Litimein, B. Bouhafs, Z. Dridi and P. Ruterana
   The electronic structure of wurtzite and zincblende AlN: an ab initio comparative study
   New J. Phys. 4 (August 2002) 64
   ISSN 1367-2630 (Online)
2. M. Rabah, H. Abid, B. Bouhafs, H. Aourag
   Theoretical analysis of disorder effects on electronic and optical properties of the quaternary alloy Ga1-xAlxAsySb1-y.
   Materials Chemistry and Physics, Volume 74, Issue 3, 1 April 2002, Pages 328-335
3. Z Dridi, B Bouhafs, P Ruterana and H Aourag
   First-principles calculations of vacancy effects on structural and electronic properties of TiCx and TiNx
   J. Phys.: Condens. Matter 14 No 43 (4 November 2002) 10237-10249
4. Z Dridi, B Bouhafs and P Ruterana
   Pressure dependence of energy band gaps for AlxGa1-xN, InxGa1-xN and InxAl1-xN
   New J. Phys. 4 (November 2002) 94 
   ISSN 1367-2630 (Online)
5. Z. Dridi, B. Bouhafs, P. Ruterana
   First-Principles Calculation of Structural and Electronic Properties of Wurtzite AlxGa1-xN, InxGa1-xN, and InxAl1-xN Random Alloys
   physica status solidi (c), Volume 0, Issue 1, Date: December 2002, Pages: 315-319
   Online ISSN: 1610-1642

Publications internationales des Equipes 2001

1. M. Ferhat, B. Bouhafs, H. Aourag, A. Zaoui, M. Certier
   The electronic structure of CuCl
   Computational Materials Science, Volume 20, Issue 2, February 2001, Pages 267-274
   ISSN: 0927-0256
2. A. Benzair, B. Bouhafs, B. Khelifa, C. Mathieu, H. Aourag
   The ground state and the bonding properties of the hypothetical cubic zinc-blende-like GeC and SnC compounds
   Physics Letters A, Volume 282, Issues 4-5, 23 April 2001, Pages 299-308
3. B. Abbar, B. Bouhafs, H. Aourag, G. Nouet and P. Ruterana
   First-Principles Calculations of Optical Properties of AlN, GaN, and InN Compounds under Hydrostatic Pressure
   physica status solidi (b), Volume 228, Issue 2, November 2001, Pages: 457–460
   Online ISSN: 1521-3951
4. N. Benosman, N. Amrane, S. Méçabih, H. Aourag
   Structural and electronic properties of bulk BeS
   Physica B: Condensed Matter, Volume 304, Issues 1-4, September 2001, Pages 214-220
   ISSN: 0921-4526
5. N. Metadjer, A. Laref, B. Khelifa, C. Mathieu, S. Bresson, H. Aourag
   Tight-binding calculation of structural properties of bulk Cu3Au and its corresponding clusters 
   Superlattices and Microstructures, Volume 30, Issue 1, July 2001, Pages 21-28

Publications internationales des Equipes 2000

1. Bachir Bouhafs, H Aourag and M Certier
   Trends in band-gap pressure coefficients in boron compounds BP, BAs, and BSb
   J. Phys.: Condens. Matter 12 No 26 (3 July 2000) 5655-5668
2. A. Laref, B. Bouhafs, A. Zaoui, M. Certier, H. Aourag
   Tight-Binding Calculation of Electronic and Elastic Properties of Ge
   physica status solidi (b), Volume 217, Issue 2, Date: February 2000, Pages: 911-917
   Online ISSN: 1521-3951
3. S. Méçabih, N. Amrane, Z. Nabi, B. Abbar, H. Aourag
   Description of structural and electronic properties of TiC and ZrC by generalized gradient approximation
   Physica A: Statistical Mechanics and its Applications, Volume 285, Issues 3-4, 1 October 2000, Pages 392-396
4. Z. Nabi, B. Abbar, S. Méçabih, A. Khalfi, N. Amrane
   Pressure dependence of band gaps in PbS, PbSe and PbTe
   Computational Materials Science, Volume 18, Issue 2, August 2000, Pages 127-131
   ISSN: 0927-0256
5. A. Tadjer, B. Abbar, M. Rezki, J. P. Dufour, H. Aourag, M. Certier
   Charge density calculations for strained zinc blende GaN, InN and AlN
   Materials Chemistry and Physics, Volume 62, Issue 1, 14 January 2000, Pages 75-80
6. N. Benosman, N. Amrane, H. Aourag
   Calculation of electronic and optical properties of zinc-blende ZnxCd1-xSe
   Physica B: Condensed Matter, Volume 275, Issue 4, February 2000, Pages 316-327
7. N. Benosman, N. Amrane, S. Méçabih, H. Aourag
   Positron affinity in Zn1-xCdxSe
   Journal of Physics and Chemistry of Solids, Volume 61, Issue 11, November 2000, Pages 1727-1733
8. S. Meçabih, N. Amrane, B. Belgoumène, H. Aourag
   Opto-electronic properties of the ternary alloy Hg1-xCdxTe
   Physica A: Statistical Mechanics and its Applications, Volume 276, Issues 3-4, 15 February 2000, Pages 495-507

Publications internationales des Equipes 1999

1. B. Bouhafs, H. Aourag, M. Ferhat and M. Certier
   Competition between the ionic and covalent character in the series of boron compounds BP, BAs, and BSb
   Journal of Physics: Condensed Matter  11, 5781 (1999).
   doi:10.1088/0953-8984/11/30/309
2. A. Tadjer, B. Abbar, M. Rezki, H. Aourag, M. Certier
   Electronic properties and strain effects in zinc blende GaN and InN
   Journal of Physics and Chemistry of Solids, Volume 60, Issue 3, March 1999, Pages 419-424
3. S. Meçabih, N. Amrane and H. Aourag
   Electronic and Positronic Distribution in the Ternary Alloy Hg1–xCdxTe
   physica status solidi (b), Volume 213, Issue 1, May 1999, Pages: 59–69
4. Z. Nabi, B. Abbar, N. Amrane, H. Aourag
   Electron and positron energy distributions in Cd0.5Mn0.5Te alloy
   Materials Chemistry and Physics, Volume 60, Issue 3, 15 September 1999, Pages 256-261

Publications internationales des Equipes 1998

1. B. Bouhafs, H. Heireche, W. Sekkal, H. Aourag, M. Ferhat and M. Certier
   Electronic and Optical Properties of Copper Halide Mixed Crystals CuBr1-xIx
   physica status solidi (b) Volume 209, Issue 2, October 1998, Pages: 339–352
2. M. Ferhat, B. Bouhafs, A. Zaoui and H. Aourag
   First-principles study of structural and electronic properties of BSb
   Journal of Physics: Condensed Matter  10, 7995 (1998).
   doi:10.1088/0953-8984/10/36/010
3. W. Sekkal, B Bouhafs, H Aourag and M Certier
   Molecular-dynamics simulation of structural and thermodynamic properties of boron nitride
   Journal of Physics: Condensed Matter 10 4975 (1998). doi:10.1088/0953-8984/10/23/006
4. A Laref, B Bouhafs, H Aourag and N Bouarissa
   Calculation of the electronic and elastic properties of carbon
   Journal of Physics: Condensed Matter 10 3195 (1998). doi:10.1088/0953-8984/10/14/008
5. A. Laref, B. Bouhafs, M. Certier, N. Bouarissa and H. Aourag
   Transferable Non-Orthogonal Tight-Binding Model for Silicon
   physica status solidi (b) Volume 208, Issue 2, August 1998, Pages: 413–426
6. F. Benkabou, B. Bouhafs, A. Zaoui, M. Certier and H. Aourag
   Positron Annihilation Studies in SixSn1—x and GexSn1—x Alloys
   physica status solidi (b) Volume 206, Issue 2, April 1998, Pages: 635–644
7. Z. Bousahla, B. Abbar, H. Aourag
   Positron deformation potential and diffusion constant in InP
   Journal of Physics and Chemistry of Solids, Volume 59, Issues 6-7, June-July 1998, Pages 1133-1137

Publications internationales des Equipes 1990-1997

1. B. Bouhafs, H. Aourag, M. Ferhat, A. Zaoui, and M. Certier
   Theoretical analysis of disorder effects on electronic and optical properties in InGaAsP quaternary alloy
   J. Appl. Phys. 82, 4923 (1997)
2. H. Aourag, B. Bouhafs and M. Certier
   Empirical Pseudo-Potential Calculations in GaAs1—xNx and AlAs1—xNx Ordered Alloys
   physica status solidi (b) Volume 201, Issue 1, May 1997, Pages: 117–134
3. M. Ferhat, B. Bouhafs, A. Zaoui, M. Certier, B. Khelifa, H. Aourag
   Electronic structure of AlxGa1−xAs and GaPxAs1−x alloys modified virtual crystal approximation calculation using sp3s* band structures
   Materials Science and Engineering B, Volume 41, Issue 3, 1 December 1996, Pages 304-309
4. N. Sekkal, B. Abbar, F. Tekia, N. Amrane, H. Aourag
   Parabolic quantum wells of AlGaAs: bandstructure calculations
   Infrared Physics & Technology, Volume 37, Issue 4, June 1996, Pages 489-498
5. N. Bouarissa, B. Abbar, J. P. Dufour, N. Amrane, H. Aourag
   Work function and energy levels of positrons in elemental semiconductors
   Materials Chemistry and Physics, Volume 44, Issue 3, June 1996, Pages 267-272
6. B. Bouhafs, F. Benkabou, M. Ferhat, B. Khelifa, J. P. Dufour, H. Aourag
   Energy band structure calculation of GexSn1−x and SixSn1−x alloys
   Infrared Physics & Technology, Volume 36, Issue 6, October 1995, Pages 967-972
7. B. Bouhafs, H. Aourag
   Predicted modifications in the direct and indirect gaps of Si
   Solid State Communications, Volume 96, Issue 4, October 1995, Pages 245-250
   ISSN: 0038-1098
8. B. Bouhafs, M. Ferhat, N. Amrane, B. Khelifa, H. Aourag
   Predicted modifications in the direct and indirect gaps of GaP
   Infrared Physics & Technology, Volume 36, Issue 4, June 1995, Pages 791-797
9. H. Aourag, M. Ferhat, B. Bouhafs, N. Bouarissa, A. Zaoui, N. Amrane, B. Khelifa
   Band structure calculations of Ga1−xAlxAs, GaAs1−xPx and AlAs under pressure
   Computational Materials Science, Volume 3, Issue 3, January 1995, Pages 393-401
   ISSN: 0927-0256
10. A. Zaoui, B. Bouhafs, M. Ferhat and H. Aourag
    Prediction of High Pressure Phase Transition in Al Compounds by the Ionicity Character
    physica status solidi (b) Volume 189, Issue 1, 1 May 1995, Pages: K5–K8
11. H. Aourag, F. Benkabou, B. Abbar, S. Ait-Abderahmane, J.P. Dufour, B. Khelifa
    Pressure dependence of positron distribution in Si
    Materials Chemistry and Physics, Volume 38, Issue 4, September 1994, Pages 348-354
    ISSN: 0254-0584
12. H. Aourag, B. Khelifa, M. Rezki, A. Tadjer
    Conduction Band Edge Charge Densities in HgxCd1-xTe
    physica status solidi (b), Volume 169, Issue 2, Date: 1 February 1992, Pages: 379-386
    Online ISSN: 1521-3951
13. H. Aourag, B. Khelifa, A. Belaidi, A. Tadjer, M. Rezki, M. Gamoudi
    Positron Band Structures of GaAs and CdTe
    physica status solidi (b), Volume 160, Issue 1, Date: 1 July 1990, Pages: 193-200
    Online ISSN: 1521-3951

---