Boucif Abbar

TL;DR: In this article, the structural, electronic and optical properties of two chalcopyrite crystals: CuGaS 2 and AgAgS 2 are studied using the full potential linearized augmented plane waves method within the local density approximation (LDA) Geometrical optimization of the unit cell (equilibrium volume, c / a ratio, internal parameter u, and bulk modulus) is in good agreement with experimental data The energy gap is found to be direct for both materials and the nature of the gap crucially depends on the manner in which the Ga 3d and (Ag 4

TL;DR: In this article, the fullpotential linearized augmented plane wave method (FP-LAPW) within the generalized gradient approximation (GGA) was used to calculate the electronic band structures and the total energies of SrS, SrSe and SrTe in NaCl- and CsCl-type structures.

TL;DR: In this article, the electronic and optical properties of zinc-blende BP, BAs and BSb compounds were investigated in the photon energy range up to 30eV, and the results of these calculations were non-relativistic with the FP-LAPW method using the WIEN 97 code.

TL;DR: In this article, the structural, electronic and optical properties of the ternary I-III-VI2 chalcopyrite semiconductors ABX2 (A = Cu, B = In, Ga, X = Se) were investigated by means of a first-principles density-functional total energy calculation with the local density approximation (LDA), using the all-electron full-potential linear-augmented plane-wave method (FP-LAPW).

TL;DR: In this article, the structural, electronic and optical properties of two chalcopyrite crystals, AgGaS 2 and AgGaSe 2, were studied using the full potential linearized augmented plane waves method within the local density approximation.