Influence of pressure and temperature on mechanical and thermal behaviors of InAsSb and GaAsSb alloys

In this work, the optoelectronic and mechanical properties of AlxIn1−xP combinations in the zinc-blende structure were studied for different Al concentrations. The energy band gaps $$\left( {{\text{E}}_{{\text{g}}}^{{\text{L}}} ,\,{\text{E}}_{{\text{g}}}^{\Gamma } ,\,{\text{E}}_{{\text{g}}}^{{\text{X}}} } \right)$$ E g L , E g Γ , E g X , refractive index (n), high frequency and static dielectric constants (ɛ∞, ɛo), elastic parameters (C11, C12, C44) were investigated. Other mechanical properties such as bulk (Bu), shear (Cs), Young’s (Y0) moduli, Poisson ratio (σ), linear compressibility $$(C_{o} )$$ ( C o ) , Cauchy $$(C_{a} )$$ ( C a ) ratio, isotropy factor (A), bond stretching parameter $$(\alpha \,)$$ ( α ) , bond-bending force parameter $$(\beta \,)$$ ( β ) , internal-strain parameter $$(\xi )$$ ( ξ ) , and the transverse effective charge $$(e_{T}^{*} )$$ ( e T ∗ ) were calculated. Also, the temperature and pressure dependences of these properties were studied. Our estimations were made with the empirical pseudo-potential method combined with the virtual crystal approximation incorporated the compositional disorder impact. There was a reasonable agreement between our determined outcomes and the accessible experimental values for the binary materials AlP and InP which give help for the consequences of the ternary combinations.

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Structural and optical properties of GaAs and InAs for doping Sb under the effect of pressure and temperature: DFT and EPM investigations

Othman

Elkenany²

2022

Opt Quant Electron

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We have developed rst-principles calculations utilizing the empirical pseudopotential method (EPM) and density functional theory (DFT) to examine the basic behaviors of the GaAs and InAs semiconductor compounds for doped Sb. The electronic and optical responses of these compounds were calculated. We examined the impacts of the temperature and pressure with the energy band forbidden and parameters of optical parameters (static dielectric constant) of the considered compounds. The literature hasn't fully analyzed the electronic and optical characteristics of the compounds with doping Sb under the impact of pressure and temperature for xed composition (x=0.5). So, we concentrated on the study of these properties.

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Influence of pressure and temperature on mechanical and thermal behaviors of InAsSb and GaAsSb alloys

Cited by 7 publications

References 48 publications

Structural, wide band gap half-metallic, and pressure-dependent thermodynamic predictions of Li2TMMgO6 (TM = V, Nb, and Ta) double perovskites

Structural, wide band gap half-metallic, and pressure-dependent thermodynamic predictions of Li2TMMgO6 (TM = V, Nb, and Ta) double perovskites

Electronic, optical, and mechanical properties of AlxIn1−xP alloys under temperature and pressure

Structural and optical properties of GaAs and InAs for doping Sb under the effect of pressure and temperature: DFT and EPM investigations

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