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Wyszukujesz frazę "Al-Douri, Y." wg kryterium: Autor


Wyświetlanie 1-2 z 2
Tytuł:
First-Principles Calculations of Structural, Electronic, Optical, and Thermodynamic Properties of CdS, CdTe and Their Ternary Alloys $CdS_{1-x}Te_{x}$ (0.0 ≤ x ≤1.0)
Autorzy:
Ameri, M.
Mesbah, S.
Al-Douri, Y.
Bouhafs, B.
Varshney, D.
Ameri, I.
Powiązania:
https://bibliotekanauki.pl/articles/1364167.pdf
Data publikacji:
2014-05
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
31.15.E-
63.20.dk
04.25.-g
78.66.Hf
73.61.At
Opis:
Using first-principle method, we investigate the structural, electronic, optical, and thermodynamic properties of the $CdS_{1-x}Te_x$ semiconductor alloys using generalized gradient approximation for the exchange-correlation potential calculation. The ground state properties are determined for the bulk materials (CdS and CdTe) in cubic phase. Quantities such as the lattice constants and bulk modulus of interest are calculated. Detailed comparisons are made with published experimental and theoretical data and show generally good agreement. The calculated lattice constants scale linearly with composition (Vegard's law). The microscopic origins of the bowing parameter were explained using the contributions from volume deformation, charge transfer and structural relaxation approach. The refractive index and optical dielectric constant for the alloys of interest were calculated by using different models. In addition, the thermodynamic stability of the alloys was investigated by calculating the critical temperatures of alloys.
Źródło:
Acta Physica Polonica A; 2014, 125, 5; 1110-1117
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Structural, Mechanical and Thermodynamic Properties Under Pressure Effect of Rubidium Telluride: First Principle Calculations
Autorzy:
Bidai, K.
Ameri, M.
Ameri, I.
Bensaid, D
Slamani, A.
Zaoui, A.
Al-Douri, Y.
Powiązania:
https://bibliotekanauki.pl/articles/354182.pdf
Data publikacji:
2017
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
Anti-fluorite: Rb2Te; FP-LAPW; GGA
structural properties
thermodynamics properties
elastic constants
Opis:
First-principles density functional theory calculations have been performed to investigate the structural, elastic and thermodynamic properties of rubidium telluride in cubic anti-fluorite (anti-CaF2-type) structure. The calculated ground-state properties of Rb2Te compound such as equilibrium lattice parameter and bulk moduli are investigated by generalized gradient approximation (GGA-PBE) that are based on the optimization of total energy. The elastic constants, Young’s and shear modulus, Poisson ratio, have also been calculated. Our results are in reasonable agreement with the available theoretical and experimental data. The pressure dependence of elastic constant and thermodynamic quantities under high pressure are also calculated and discussed.
Źródło:
Archives of Metallurgy and Materials; 2017, 62, 2A; 865-871
1733-3490
Pojawia się w:
Archives of Metallurgy and Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

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