Mechanical Properties and Elastic Constants of Zinc-Blende Ga1?xInxN Alloys

Bouarissa, N.; Kassali, K.

doi:10.1002/1521-3951(200112)228:3<663::aid-pssb663>3.0.co;2-8

Cited by 53 publications

(15 citation statements)

References 22 publications

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“…The investigation of elastic constants helps for the determination of the relationship between mechanical and dynamic characteristics of a crystal structure . In particular, these constants provide important information regarding elasticity, stiffness, stability, and nature of the operating forces in solids .…”

Section: Resultsmentioning

confidence: 99%

“…The investigation of elastic constants helps for the determination of the relationship between mechanical and dynamic characteristics of a crystal structure. [31][32][33][34][35] In particular, these constants Groh et al [1] , modified embedded-atom method; b) Zhou and Gong [8] , DFT-PAW method within GGA approach.…”

Section: Elastic Constants and Some Of Their Related Quantitiesmentioning

confidence: 99%

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High‐Pressure Effect on Elastic Constants and Their Related Properties of MgCa Intermetallic Compound

Daoud

Bouarissa

Benmakhlouf

et al. 2020

Physica Status Solidi (b)

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Structural parameters, elastic constants, and their related properties of MgCa with a cubic CsCl‐type structure under high pressure up to 16 GPa are investigated using the pseudopotential plane‐wave approach in the framework of the density functional theory as implemented in the CASTEP code. The results indicate that MgCa possesses a brittle nature below 1.4 GPa and begins to be prone to ductility when the pressure goes beyond this value. The tetragonal shear parameter is found to vanish at around 7 GPa. The analyses of the anisotropy factors show that MgCa is highly anisotropic. The magnitude of the anisotropy increases monotonically with applied pressure. The single crystal azimuthal anisotropy for longitudinal and transverse waves is determined. The variation of the longitudinal and shear‐wave velocities with the direction of propagation is estimated at 0 and 16 GPa pressure. The Cauchy condition is found to be strongly violated, reflecting the important contribution from the noncentral many‐body forces in the crystal. In addition, the specific heat capacity CV and the entropy S at elevated temperatures up to 600 K are studied. At zero‐pressure and T = 300 K, our calculation yields values of CV ≈ 47.31 J mol−1 K−1 and S ≈ 66.06 J mol−1 K−1.

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Section: Resultsmentioning

confidence: 99%

Section: Elastic Constants and Some Of Their Related Quantitiesmentioning

confidence: 99%

High‐Pressure Effect on Elastic Constants and Their Related Properties of MgCa Intermetallic Compound

Daoud

Bouarissa

Benmakhlouf

et al. 2020

Physica Status Solidi (b)

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“…x P y Sb z As 1-y-z is stiff throughout the whole pressure and composition range. It is necessary to understand mechanical characteristics, particularly the elastic constants, which define how macroscopic stress reacts, to understand how strain affects electronic properties 53 . It has been crucial to study the bond-stretching and bond-bending force constants of semiconductors due to the possibility of using 5.…”

Section: Resultsmentioning

confidence: 99%

Insight into pressure effect on the structural, electronic, optical, mechanical, phonon frequencies, and acoustic speed of nanostructure Ga x In 1-x P y Sb z As 1-y-z alloy lattice matched to GaSb substrate

Elkenany

Alfrnwani

2023

Preprint

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The electronic, optical, and elastic characteristics of the GaxIn1-xPySbzAs1-y-z alloy lattice matched to the GaSb substrate using a pseudo-potential formalism (EPM) based on the virtual crystal approximation (VCA) are performed. The mechanical features, acoustic velocity, and phonon frequencies of the GaxIn1-xPySbzAs1-y-z/GaSb system are calculated. The sensitivity of these properties to pressure is considered. Our findings are reasonably consistent with the experimental evidence that is currently available. The studied properties of this alloy under the influence of pressure are a new achievement. Novel device applications would be made possible by the pentanary GaxIn1-xPySbzAs1-y-z alloy under high pressure.

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“…They exhibit very important physical properties and cover a large domain of applications where they operate in the violet to orange regions of visible light [2,3,10]. GaN and InN binary compounds crystallize preferentially in the hexagonal wurtzite structure [11] and devices have so far been based on this semiconductor material.…”

Section: Introductionmentioning

confidence: 99%

Electronic Properties of Wurtzite GaN, InN and their Ternary Alloys InxGa1-XN (0 < X < 1): A Comparative Study Using Different Methods

Saı̈d¹,

Oussaifi²,

Bouarissa³

et al. 2021

Int J Opt Photonic Eng

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We present a theoretical study of the electronic properties of GaN, InN and their ternary alloys Inx Ga 1-x N in the wurtzite structure. Our results are obtained by means of two computational methods: The empirical pseudopotential method within the virtual crystal approximation and first-principles calculation based on density functional theory within the Heys, Scuseria and Ernzerhof hybrid functional for exchange-correlation energy. Our findings are compared with data available in the literature.The alloy composition dependence of the energy band-gap at high-symmetry Г point in the Brillouin zone and the longitudinal and transversal electron effective masses is examined and discussed. Comparison between the results obtained from the two used methods is made. The present investigation may be useful information for technological applications in the blue and green regions of the spectrum.

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Mechanical Properties and Elastic Constants of Zinc-Blende Ga1?xInxN Alloys

Cited by 53 publications

References 22 publications

High‐Pressure Effect on Elastic Constants and Their Related Properties of MgCa Intermetallic Compound

High‐Pressure Effect on Elastic Constants and Their Related Properties of MgCa Intermetallic Compound

Insight into pressure effect on the structural, electronic, optical, mechanical, phonon frequencies, and acoustic speed of nanostructure Ga x In 1-x P y Sb z As 1-y-z alloy lattice matched to GaSb substrate

Electronic Properties of Wurtzite GaN, InN and their Ternary Alloys InxGa1-XN (0 < X < 1): A Comparative Study Using Different Methods

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