Structural, electronic and thermal properties of AlxGa1−xAs ternary alloys: Insights from DFT study

Nemiri, O.; Oumelaz, F.; Boumaza, A.; Ghémid, S.; Meradji, H.; Ahmed, Waleed; Khenata, R.; Wang, Xiaotian

doi:10.1016/j.jmgm.2019.07.011

Cited by 7 publications

(1 citation statement)

References 32 publications

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“…This means that CV is proportional to T 3 at low temperatures due to an anharmonic approximation of the Debye model. However, at above room temperature, the dependence of CV is governed by the vibrational details of the atoms[19,25]. As shown in fig.4(b) thermal conductivity gradually increases with temperature.…”

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confidence: 95%

Theoretical Approach to Study the Physical Properties of GaAsSb Alloy

Sharma

Gupta

Bhattarai

et al. 2021

Preprint

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The physical properties of GaAsSb alloy are studied using a numerical method for a wide range of antimony compositions and temperatures. In the study of the phase diagram, the binodal curve describes the limits of solid solubility. In contrast, the spinodal curve points to the equilibrium solubility limit called the miscibility gap. It signifies that the GaAsSb alloy over intermediate compositions has a stable phase at a normal growth temperature and illustrates a large miscibility gap enclosed by the binodal line. It has been observed that GaAsSb alloy exhibiting the mixing enthalpy of about 1.1 kcal/mole and corresponds to critical temperature Tc by 1580 K. Whereas, the rate at which Debye temperature decreasing along with crystallographic direction Λ by 3.88/%Sb, Σ by 2.85/%Sb, and Δ by 1.59/%Sb. Also, we calculated the specific heat of GaAsSb alloy (35%Sb) at room temperature 49.1076 J/mole K and thermal conductivity by considering the Umklapp processes the dominant scattering mechanism 2.9036 W/mK. We also calculated the threshold energy due to the non-parabolicity effect and seen monotonic variation in temperature-dependent intrinsic carrier concentration of the GaAsSb alloy. Thus, make the right choice for several applications, such as photodetectors, photodiodes, and solar cells, and so on.

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confidence: 95%