Theoretical Prediction of Some Physical Properties of BxAl1 – xSb Ternary Alloys

Daoud, Salah; Saini, Pawan; Rekab-Djabri, Hamza

doi:10.21272/jnep.12(6).06008

Cited by 9 publications

(15 citation statements)

References 18 publications

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“…The variation of Tm with x for BxAl1-xSb alloys is also plotted in Fig. 7, along the results reported very recently by Daoud et al [3]. Ref.…”

Section: Thermal Propertiessupporting

confidence: 80%

“…Ref. [3] Boron-concentation (x) The melting point of AlSb is equals to1094.9 ± 300 K, while that of BSb is around 1563.4 ± 300K, respectively. These two values are in good agreement with those obtained from Eq.…”

Section: Thermal Propertiesmentioning

confidence: 99%

“…Daoud et al [3] have determined some interesting properties of BxAl1-xSb alloys using different empirical expressions, while Benchehima et al [4] have studied the structural parameters, electronic band structures, densities of states and optical properties of the ordered BxAl1-xSb at different boron concentrations x using full potential linearized augmented plane wave (FP-LAPW) method. The latter is based on the DFT with both the local density approximation (LDA) and the generalized gradient approximation of Wu and Cohen (GGA-WC).…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Prediction of Mechanical Properties of B_xAl_1−xSb Ternary Semiconducting Alloys

Mezouar

Bioud

Rekab-Djabri

et al. 2022

Annals of West University of Timisoara - Physics

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The present work aims to predict the elastic constants and other significant properties of ordered BxAl1-xSb (0 ≤ x ≤ 1) ternary semiconducting alloys. We report the initial results of the elastic stiffness constants, the bulk modulus, the aggregate shear modulus, the Cauchy ratio, the aggregate Young’s modulus, the Born ratio, the isotropy factor, the fracture toughness and the longitudinal, transverse and average sound velocities. The Debye temperature and the melting point were also predicted using two different empirical expressions. Except the Cauchy ratio, which decreases with enhancing boron content x, all other physical quantities of BxAl1-xSb alloys increase gradually and monotonically with increasing of boron concentration x in the range 0-1. Our obtained data for BSb and AlSb binary semiconducting compounds are discussed and analyzed in comparison with experimental and other theoretical values of the literature. Generally, our data for BSb and AlSb are in good agreement with other results reported previously in literature. Indeed, our obtained value (335.82 K) of the Debye temperature for AlSb compound overestimates the result (328.6 K) reported by Salehi et al. by around 2.03%, while that (1520 K) of the melting point for BSb overestimates the result (1500 K) reported recently by Bioud et al. by around 1.34%. Furthermore, to the best of our knowledge, no theoretical or experimental data were reported in the literature on the elastic constants and other properties for BxAl1-xSb alloys to compare with them.

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“…The variation of Tm with x for BxAl1-xSb alloys is also plotted in Fig. 7, along the results reported very recently by Daoud et al [3]. Ref.…”

Section: Thermal Propertiessupporting

confidence: 80%

Section: Thermal Propertiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Theoretical Prediction of Mechanical Properties of B_xAl_1−xSb Ternary Semiconducting Alloys

Mezouar

Bioud

Rekab-Djabri

et al. 2022

Annals of West University of Timisoara - Physics

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“…The melting temperature T m is one of the important information required for the thermal characterization of materials [21]. The melting point T m of several solids having a cubic structure correlates with the bulk modulus B by this empirical formula [22,23]: T m  9.3B + 607, where T m is expressed in K, and B is expressed in GPa. Although several empirical expressions are not supported by fundamental theory, much important information of semiconducting materials have been obtained on the basis of these equations.…”

Section: Equilibrium Structural Parametersmentioning

confidence: 99%

Hydrostatic pressure effect on the structural parameters of GaSb semiconducting material: Ab-initio calculations

Bengasmia

Boutahar

et al. 2023

jpcr

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Ab-initio calculations were performed to investigate the ground state and hydrostatic pressure effecton the structural properties of GaSb semiconducting material. The projected augmented wavepseudopotentials (PAW) approach in the framework of the density functional theory (DFT) asimplemented in the Quantum Espresso code was used. The exchange-correlation functional wasdescribed with the generalized gradient approximation (GGA). Utilizing the energy - volume (E-V)data, our values of the equilibrium lattice constant, the bulk modulus, and the pressure derivative ofthe bulk modulus of GaSb semiconductor obtained from the Birch–Murnaghan equation of statewere found 6.220 Å, 44.84 GPa and 4.22, respectively. Our obtained data agree well with theavailable experimental values and other theoretical data of the literature. In addition, the meltingpoint, the lattice thermal expansion coefficient and the microhardness of our material of interestwere also calculated and compared with the available experimental data of the literature.

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“…Because of their technical and scientific importance for optoelectronic device applications, recently A N B 8-N tetrahedrally coordinated semiconducting materials have been extensively studied [1][2][3][4][5][6][7][8][9][10][11][12][13]. When several possible atomic configurations are considered, the solid crystallizes in a modification that maximizes the number of atoms in a given volume [2].…”

Section: Introductionmentioning

confidence: 99%

Plasmon energy and microhardness of BxAl1-xSb alloys: semi-empirical prediction

Mezouar

Logzit²

2023

IJPR

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Based on the reflective index reported in the literature, the present work aims to investigate the plasmon energy, the microhardness and the homopolar band gap energy of BxAl1-xSb ternary semiconducting alloys as a function of boron concentration x in the range 0 –1. We found that both the plasmon energy and the microhardness of BxAl1-xSb alloys change gradually but not monotonically with increasing of boron concentration x from 0 to 1, while the homopolar band gap energy increases monotonically with enhancing of x. We emphasize that a boron concentration x dependent plasmon energy and microhardness between 0 and 1 is extremely unusual behavior for BxAl1-xSb alloys. Normally, both plasmon energy and the microhardness monotonically increase with increasing boron concentration x as it was mentioned in the literature. The plasmon energy of AlSb and BSb was found to be 16.14 and 15.58 eV, respectively. Our value (16.14 eV) of the plasmon energy for AlSb compound is higher than the result (13.8 eV) reported by Böer and Pohl. The minimum of the plasmon energy was found to be 14.4 eV for both B0.5Al0.5Sb and B0.625Al0.375Sb alloys. The microhardness of AlSb was found at around 7.56 GPa, while that of BSb was found to be 6.51 GPa. Similar to the plasmon energy, the minimum value of the microhardness was found to be 4.45 GPa for both B0.5Al0.5Sb and B0.625Al0.375Sb alloys.

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Theoretical Prediction of Some Physical Properties of BxAl1 – xSb Ternary Alloys

Cited by 9 publications

References 18 publications

Theoretical Prediction of Mechanical Properties of B_xAl_1−xSb Ternary Semiconducting Alloys

Theoretical Prediction of Mechanical Properties of B_xAl_1−xSb Ternary Semiconducting Alloys

Hydrostatic pressure effect on the structural parameters of GaSb semiconducting material: Ab-initio calculations

Plasmon energy and microhardness of BxAl1-xSb alloys: semi-empirical prediction

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Theoretical Prediction of Some Physical Properties of BxAl1 – xSb Ternary Alloys

Cited by 9 publications

References 18 publications

Theoretical Prediction of Mechanical Properties of BxAl1−xSb Ternary Semiconducting Alloys

Theoretical Prediction of Mechanical Properties of BxAl1−xSb Ternary Semiconducting Alloys

Hydrostatic pressure effect on the structural parameters of GaSb semiconducting material: Ab-initio calculations

Plasmon energy and microhardness of BxAl1-xSb alloys: semi-empirical prediction

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Theoretical Prediction of Mechanical Properties of B_xAl_1−xSb Ternary Semiconducting Alloys

Theoretical Prediction of Mechanical Properties of B_xAl_1−xSb Ternary Semiconducting Alloys