Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Ali H"'
Autor:
H. Righi, O. Cheref, Y. Djaballah, M. Ghezali, M. Rabah, Ali H. Reshak, A. Belasri, A. Gani, D. Rached
Publikováno v:
Chinese Journal of Physics. 64:174-182
We have conducted a first-principles study on the structural, electronic, optical and elastic properties of BeSiP2 and BeGeP2 chalcopyrite compounds. Using the density functional theory (DFT), implemented in both full potential linear muffin-tin orbi
Publikováno v:
The European Physical Journal B. 93
The stability and electronic and optical properties of two-dimensional (2D) SnTe monolayer has been systematically studied by using first-principles calculations based on density functional theory. Our computations demonstrate that the predicted 2D S
Autor:
Muhammad Rashid, Thamraa Alshahrani, Nessrin A. Kattan, Abdullah Ali H. Ahmadini, Amel Laref, Fasih Zareef
Publikováno v:
Materials Science in Semiconductor Processing. 127:105695
First-principles study of spinel compounds CdLu2X4 (X = S, Se) has been carried out using density functional theory based Wien2k code. Lattice parameters are consistent with the experimental data. Born's stability criteria confirm the mechanical stab
Publikováno v:
Optik. 139:9-15
In this communication, the electronic and optical properties of paratellurite TeO2 (α-TeO2) single crystal under pressure up to 9 GPa are investigated by means of the first principles calculations in the framework of the density functional theory. T
Autor:
Ali H. Reshak
Publikováno v:
Materials Chemistry and Physics. 192:260-267
We explored the influence of the inclusion of spin polarization on the energy band gap of β-RbSm(MoO4)2. Calculations explored that the appearance of Sm-4f states at the conduction band minimum (CBM) of the spin-up case causes a significant influenc
Autor:
M. Hassan, Zeyad A. Alahmed, I. Mahmood, Ali H. Reshak, N.A. Noor, Syed Muhammad Alay-e-Abbas
Publikováno v:
Philosophical Magazine. 97:1884-1901
In this study, the elastic, electronic, optical and thermoelectric properties of CaTiO3 perovskite oxide have been investigated using first-principles calculations. The generalised gradient approximation (GGA) has been employed for evaluating structu
Publikováno v:
Physical Chemistry Chemical Physics. 19:31255-31266
We explore the effect of spin-orbit interaction (SOI) on the electronic and optical properties of CsPbCO3F using the full potential linear augmented plane wave method with the density functional theory (DFT) approach. CsPbCO3F is known for its high p
Autor:
Ali H. Reshak
Publikováno v:
Philosophical Magazine. 96:3131-3142
The electronic structure and optical properties of the molybdenum oxyfluoride K6[Mo4O8F10] single crystal were investigated. Based on X-ray diffraction data, the crystal structure was optimised so as to minimise the forces acting on each atom. The ca
Publikováno v:
Materials Chemistry and Physics. 172:77-86
We have investigated the structural, electronic and optical properties for two phases of polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate ( C 6 H 13 N 4 + · C 6 H 3 N 2 O 5 − · H 2 O ) compound which were synthesized by Hoo
Autor:
Ali H. Reshak
Publikováno v:
RSC Advances. 6:54001-54012
Transport properties of two Co-based Heusler compounds Co2VAl and Co2VGa were calculated. The calculated spin-polarized electronic band structures for majority and minority spin reveal that the minority spin exhibits an indirect band gap of about 0.3