# Search results for: B. Amrani

Journal of KONBiN > 2019 > No. 49 (2) > 459--475

Journal of KONBiN > 2019 > No. 49 > 31--46

Journal of Computational Electronics > 2018 > 17 > 3 > 920-925

Journal of Superconductivity and Novel Magnetism > 2018 > 31 > 9 > 2935-2940

_{3}(

*M*= Cl and Br) induced by substitution of non-magnetic 2

*p*-impurities (B, C, and N) substitution. The calculations were done within the generalized gradient approximation (GGA) and GGA plus-modified Becke and Johnson (mBJ-GGA) as the exchange correlation. The results...

Journal of Magnetism and Magnetic Materials > 2015 > 388 > C > 59-67

_{2}-based full Heusler alloys Mn

_{2}ZrSi and Mn

_{2}ZrGe have been studied by first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT). Our investigation is focused on the structural, elastic, electronic and magnetic properties of these compounds. The AlCu

_{2}Mn-type structure is...

Materials Chemistry and Physics > 2015 > 163 > C > 99-106

_{3}/mmc space group of the deposited films with (100) preferred orientation and lattice parameters a = 3.441 Å and c = 5...

Physica B: Physics of Condensed Matter > 2012 > 407 > 12 > 2154-2159

_{3}-perovskite are calculated using the full potential linearized augmented plane wave with local orbital (FP-LAPW)+lo. The exchange-correlation energy, is treated in generalized gradient approximation (GGA) using the Perdew–Burke–Ernzerhof (PBE) parameterization. The calculated equilibrium parameter is in...

Computational Materials Science > 2011 > 50 > 11 > 3123-3130

physica status solidi (b) > 248 > 3 > 712 - 718

_{2}compound. The valence...

Physica B: Physics of Condensed Matter > 2010 > 405 > 18 > 3879-3884

_{3}are studied using both full potential linearized augmented plane wave (FP-LAPW) and plane-wave pseudopotential (PW-PP) methods. Exchange–correlation effects are treated by the generalized gradient approximation (GGA). The equilibrium lattice constants, the bulk modulus, its pressure derivative, and the electronic structure...

Physica B: Physics of Condensed Matter > 2010 > 405 > 17 > 3658-3664

_{2}. The topological analysis of the electron density shows a clear polar bonding, with the integrated basin charges revealing a clear dominance of the covalent over the ionic character. The bonding analysis also...

Computational Materials Science > 2010 > 49 > 2 > 372-377

Journal of Alloys and Compounds > 2010 > 499 > 1 > 80-89

_{x}Ga

_{1−x}As, Al

_{x}Ga

_{1−x}Sb, GaAs

_{x}Sb

_{1−x}and AlAs

_{x}Sb

_{1−x}ternary alloys using the full potential-linearized augmented plane wave plus local orbitals method within the density functional...

Computational Materials Science > 2010 > 49 > 1 > 64-69

Superlattices and Microstructures > 2010 > 47 > 2 > 361-368

_{x}Ga

_{1−x}As and Sc

_{x}Ga

_{1−x}N ternary alloy and superlattice systems are investigated within the first-principles full-potential linear muffin-tin orbitals method (FPLMTO) in its atomic sphere approximation (ASA) using the technique of empty spheres, which allows an accurate treatment of the interstitial regions. The phase transition...

Physica B: Physics of Condensed Matter > 2010 > 405 > 1 > 394-399

Journal of Solid State Chemistry > 2010 > 183 > 1 > 46-51

_{2}Se

_{4}compound have been reported using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2k code. We employed the Wu and Cohen generalized gradient approximation (GGA-WC), which is...

Computational Materials Science > 2010 > 47 > 3 > 655-659

_{2}and SbAsGa

_{2}crystals has been determined by means of first principles calculations using the full-potential augmented plane wave (FPLAPW) method. Ground state properties such as the lattice parameters (a, c and u), bulk modulus B, its pressure derivative B′, have been directly calculated and compared to previous experimental...

Physica B: Physics of Condensed Matter > 2009 > 404 > 20 > 3534-3538

_{3}are studied using the pseudopotential plane wave method within the local density approximation. The calculated structural parameters are in good agreement with previous calculations. The elastic constants are calculated using the static finite strain technique. Thermal effects on some macroscopic properties of BiAlO...

Physica B: Physics of Condensed Matter > 2009 > 404 > 20 > 3435-3439

_{1–}

_{x}P

_{x}alloy. The full potential-linearized augmented plane wave (FP-LAPW) method was employed within density functional theory (DFT). The ground-state properties are determined for the bulk materials (InAs and InP) as well as for the different concentration...