Zobrazeno 1 - 10
of 224
pro vyhledávání: '"B. Soudini"'
Publikováno v:
Optik. 251:168494
Publikováno v:
Computational Materials Science. 47:432-438
A theoretical study of structural and electronic properties of the GaN compound is presented using the first-principles full-potential augmented plane wave approach within the generalized gradient approximation (GGA). Results are given for lattice pa
Publikováno v:
Sensor Letters. 7:905-908
Publikováno v:
Computational Materials Science. 44:635-640
We present the molecular dynamics simulations results of the structural and dynamical properties of the zinc-blende BBi over a wide range of temperature (400–1500 K). Our simulations were carried out using the three-body Tersoff potential, which ac
Publikováno v:
Solid State Communications. 147:178-182
We have performed first principles full-potential augmented plane wave plus local orbitals (FP-APW+lo) calculations within the local density approximation (LDA) and the generalized gradient approximation (GGA), with the aim to determine and predict t
Autor:
Yarub Al-Douri, Djamel Rached, Rabah Khenata, H. Baltache, B. Soudini, N. Benkhettou, M. Rabah
Publikováno v:
Computational Materials Science. 37:292-299
First-principles calculations have been used to investigated the structural, electronic and elastic properties of beryllium chalcogenides BeS, BeSe and BeTe, using the full-potential linear muffin-tin orbital (FP-LMTO) method. The exchange correlatio
Publikováno v:
physica status solidi (b). 241:2529-2537
We present the results of a first-principles study of the electronic and structural properties of strontium chalcogenides, SrS, SrSe and SrTe. The computational method is based on the full-potential linear muffin-tin orbitals method (FP-LMTO) augment
Publikováno v:
physica status solidi (b). 241:101-107
The structural phase transformations of CdS and CdSe under high pressure are studied by using the local approximation to the density functional theory, and the one-electron equations are solved by means of the full-potential linear muffin-tin-orbital
Publikováno v:
physica status solidi (b). 240:565-573
Theoretical results on the structural and the electronic properties of MgS and MgSe are presented. The calculations were made using the full-potential linear muffin-tin orbitals (FP-LMTO) method augmented by a plane wave (PLW) basis. It was found tha
Publikováno v:
Physica B: Condensed Matter. 337:394-403
The hydrostatic pressure dependence of the principal energy gaps and of the optical properties of PbX (X=S, Se, and Te) has been calculated with the use of the self-consistent full-potential linear muffin-tin orbital method. The local density approxi