Search Results - "BALTACHE, H"
-
1
FPLAPW study of the structural, electronic, and optical properties of Ga2O3: Monoclinic and hexagonal phases
Published in Journal of alloys and compounds (20-11-2009)Get full text
Journal Article -
2
Elastic, electronic and optical properties of ZnS, ZnSe and ZnTe under pressure
Published in Computational materials science (01-11-2006)“…The results of first-principles theoretical study of the structural, electronic and optical properties of zinc monochacogenides ZnS, ZnSe and ZnTe, have been…”
Get full text
Journal Article -
3
Spin-polarized structural, elastic, electronic and magnetic properties of half-metallic ferromagnetism in V-doped ZnSe
Published in Journal of magnetism and magnetic materials (15-01-2015)“…Based on first principles spin-polarized density functional theory, the structural, elastic electronic and magnetic properties of Zn1−xVxSe (for x=0.25, 0.50,…”
Get full text
Journal Article -
4
First-principle calculations of structural, electronic and optical properties of BaTiO3 and BaZrO3 under hydrostatic pressure
Published in Solid state communications (01-10-2005)“…A theoretical study of structural, electronic and optical properties of cubic BaTiO3 and BaZrO3 perovskites is presented, using the full-potential linear…”
Get full text
Journal Article -
5
Full-potential calculations of structural, elastic and electronic properties of MgAl2O4 and ZnAl2O4 compounds
Published in Physics letters. A (05-09-2005)“…Theoretical studies of structural, elastic and electronic properties of spinel MgAl2O4 and ZnAl2O4 oxides are presented, using the full-potential linear…”
Get full text
Journal Article -
6
Ab initio study of structural, electronic, elastic and high pressure properties of barium chalcogenides
Published in Computational materials science (01-12-2006)“…A theoretical studies of structural, electronic, elastic and high pressure properties in barium chalcogenides BaX (X = S, Se, Te, Po) are performed, using the…”
Get full text
Journal Article -
7
Ab initio study of electronic structure and magnetic properties of MFe3N (M=Ru and Os)
Published in Computational materials science (01-12-2012)“…► Based on DFT calculations, RuFe3N and OsFe3N compounds have been investigated. ► The magnetic phase stability was determined from the total energy…”
Get full text
Journal Article -
8
Structural, elastic, optoelectronic and magnetic properties of CdHo2S4 spinel: a first-principle study
Published in Bulletin of materials science (01-10-2017)“…We report the results of the full-potential linearized augmented plane wave (FP-LAPW) calculations on the structural, elastic, optoelectronic and magnetic…”
Get full text
Journal Article -
9
Effect of pressure on the global and local properties of cubic perovskite crystals
Published in Physica scripta (01-08-2011)Get full text
Journal Article -
10
Full potential calculation of structural, electronic and elastic properties of alkaline earth oxides MgO, CaO and SrO
Published in Physica. B, Condensed matter (15-02-2004)“…A theoretical study of structural and electronic properties of MgO, CaO and SrO is presented using the full-potential linearized augmented plane wave method…”
Get full text
Journal Article -
11
Elastic and optical properties of BeS, BeSe and BeTe under pressure
Published in Solid-state electronics (01-07-2006)“…We have performed the first principles full-potential linearized augmented plane wave calculations (FP-LAPW) with density functional theory in local density…”
Get full text
Journal Article -
12
Full potential calculation of structural, electronic and optical properties of KMgF3
Published in Materials chemistry and physics (15-05-2005)Get full text
Journal Article -
13
First-principle study of structural, electronic and elastic properties of beryllium chalcogenides BeS, BeSe and BeTe
Published in Computational materials science (01-09-2006)“…First-principles calculations have been used to investigated the structural, electronic and elastic properties of beryllium chalcogenides BeS, BeSe and BeTe,…”
Get full text
Journal Article -
14
Structural, electronic, elastic and high-pressure properties of some alkaline-earth chalcogenides: An ab initio study
Published in Physica. B, Condensed matter (01-01-2006)“…The full-potential linearized augmented plane wave method (FP-LAPW) within the generalized gradient approximation (GGA) is used to calculate the electronic…”
Get full text
Journal Article -
15
Full potential calculation of structural, elastic properties and high-pressure phase of binary noble metal carbide: ruthenium carbide
Published in The Journal of physics and chemistry of solids (01-12-2010)“…We present in this paper the results of an ab initio theoretical study within the local density approximation (LDA) to determine in rock-salt (B1), cesium…”
Get full text
Journal Article -
16
First-principle study of structural, electronic and elastic properties of SrS, SrSe and SrTe under pressure
Published in Physica. B, Condensed matter (15-12-2003)“…The full-potential linearized augmented plane wave method (FP-LAPW) within the generalized gradient approximation (GGA) is used to calculate the electronic…”
Get full text
Journal Article -
17
Structural, electronic, linear, and nonlinear optical properties of ZnCdTe2 chalcopyrite
Published in Physica Status Solidi (b) (01-03-2011)“…We report results of first‐principles density functional calculations using the full‐potential linearized augmented plane wave method. The generalized gradient…”
Get full text
Journal Article -
18
Optical properties of germanium dioxide in the rutile structure
Published in The European physical journal. B, Condensed matter physics (01-06-2005)Get full text
Journal Article -
19
Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb
Published in Computational materials science (2011)“…An ab initio study of the band structure, density of states, topology of the electron density and the spectral features of the linear and non-linear optical…”
Get full text
Journal Article -
20
Elastic stability, electronic structure and optical properties of PtN2 with pyrite and fluorite structures
Published in Journal of alloys and compounds (10-06-2009)Get full text
Journal Article