First-principles investigation of lattice constants and bowing parameters in wurtzite AlxGa1− xN, InxGa1− xN and InxAl1− xN alloys Z Dridi, B Bouhafs, P Ruterana Semiconductor science and technology 18 (9), 850, 2003 | 161 | 2003 |

Full potential calculation of structural, electronic and elastic properties of alkaline earth oxides MgO, CaO and SrO H Baltache, R Khenata, M Sahnoun, M Driz, B Abbar, B Bouhafs Physica B: Condensed Matter 344 (1-4), 334-342, 2004 | 145 | 2004 |

Molecular-dynamics simulation of structural and thermodynamic properties of boron nitride W Sekkal, B Bouhafs, H Aourag, M Certier Journal of Physics: Condensed Matter 10 (23), 4975, 1998 | 132 | 1998 |

FP-LAPW investigations of electronic structure and bonding mechanism of NbC and NbN compounds T Amriou, B Bouhafs, H Aourag, B Khelifa, S Bresson, C Mathieu Physica B: Condensed Matter 325, 46-56, 2003 | 129 | 2003 |

Trends in band-gap pressure coefficients in boron compounds BP, BAs, and BSb B Bouhafs, H Aourag, M Certier Journal of Physics: Condensed Matter 12 (26), 5655, 2000 | 111 | 2000 |

First‐principles elastic constants and electronic structure of BP, BAs, and BSb H Meradji, S Drablia, S Ghemid, H Belkhir, B Bouhafs, A Tadjer physica status solidi (b) 241 (13), 2881-2885, 2004 | 106 | 2004 |

The electronic structure of wurtzite and zincblende AlN: an ab initio comparative study F Litimein, B Bouhafs, Z Dridi, P Ruterana New Journal of Physics 4 (1), 64, 2002 | 105 | 2002 |

First-principle study of structural, electronic and elastic properties of SrS, SrSe and SrTe under pressure R Khenata, H Baltache, M Rérat, M Driz, M Sahnoun, B Bouhafs, B Abbar Physica B: Condensed Matter 339 (4), 208-215, 2003 | 104 | 2003 |

Calculation of structural, optical and electronic properties of ZnS, ZnSe, MgS, MgSe and their quaternary alloy Mg1− xZnxSySe1− y M Rabah, B Abbar, Y Al-Douri, B Bouhafs, B Sahraoui Materials Science and Engineering: B 100 (2), 163-171, 2003 | 101 | 2003 |

First-principles calculations of vacancy effects on structural and electronic properties of TiCx and TiNx Z Dridi, B Bouhafs, P Ruterana, H Aourag Journal of Physics: Condensed Matter 14 (43), 10237, 2002 | 95 | 2002 |

First-principle calculations of structural, electronic and optical properties of BaTiO3 and BaZrO3 under hydrostatic pressure R Khenata, M Sahnoun, H Baltache, M Rérat, AH Rashek, N Illes, ... Solid state communications 136 (2), 120-125, 2005 | 88 | 2005 |

First-principles calculations on the electronic structure of TiCxN1− x, ZrxNb1− xC and HfCxN1− x alloys A Zaoui, B Bouhafs, P Ruterana Materials Chemistry and Physics 91 (1), 108-115, 2005 | 88 | 2005 |

First-principles study of structural and electronic properties of BSb M Ferhat, B Bouhafs, A Zaoui, H Aourag Journal of Physics: Condensed Matter 10 (36), 7995, 1998 | 88 | 1998 |

First-principles elastic constants and electronic structure of beryllium chalcogenides BeS, BeSe and BeTe D Heciri, L Beldi, S Drablia, H Meradji, NE Derradji, H Belkhir, B Bouhafs Computational materials science 38 (4), 609-617, 2007 | 78 | 2007 |

Structural, electronic, elastic and high-pressure properties of some alkaline-earth chalcogenides: An ab initio study R Khenata, M Sahnoun, H Baltache, M Rérat, D Rached, M Driz, ... Physica B: Condensed Matter 371 (1), 12-19, 2006 | 72 | 2006 |

Full-potential calculations of structural, elastic and electronic properties of MgAl2O4 and ZnAl2O4 compounds R Khenata, M Sahnoun, H Baltache, M Rérat, AH Reshak, Y Al-Douri, ... Physics Letters A 344 (2-4), 271-279, 2005 | 71 | 2005 |

First-principles calculations of the elastic, electronic, and optical properties of the filled skutterudites and R Khenata, A Bouhemadou, AH Reshak, R Ahmed, B Bouhafs, D Rached, ... Physical Review B 75 (19), 195131, 2007 | 69 | 2007 |

Competition between the ionic and covalent character in the series of boron compounds BP, BAs, and BSb B Bouhafs, H Aourag, M Ferhat, M Certier Journal of Physics: Condensed Matter 11 (30), 5781, 1999 | 68 | 1999 |

Structural, electronic and optical calculations of Cu(In,Ga)Se_{2} ternary chalcopyritesM Belhadj, A Tadjer, B Abbar, Z Bousahla, B Bouhafs, H Aourag physica status solidi (b) 241 (11), 2516-2528, 2004 | 55 | 2004 |

Electronic and optical properties of copper halides mixed crystal CuCl1− xIx B Bouhafs, H Heireche, W Sekkal, H Aourag, M Certier Physics Letters A 240 (4-5), 257-264, 1998 | 52 | 1998 |