Properties of group III–V semiconductor: BAs

Rastogi, Anugya; Rajpoot, Priyanka; Verma, U. P.

doi:10.1007/s12034-019-1758-8

Cited by 19 publications

(18 citation statements)

References 52 publications

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“…Elastic wave velocity in a material with an anisotropic structure is strongly dependent on the propagation crystallographic directions . Different modes of sound waves propagate with different velocities from which all elastic constants can be determined.…”

Section: Resultsmentioning

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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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%

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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“…In order to obtain the structural parameters of ScN and YN compounds in different phases, the energy-unit cell volume (E-V) data were used here. The equilibrium lattice volume V0, bulk modulus B0 and the pressure derivative of the bulk modulus B0′ have been computed by minimizing the total energy by means of Murnaghan's equation of state (EOS), which is expressed as follow [9]:…”

Section: Eos Parametersmentioning

confidence: 99%

“…The bulk modulus B is a quantity which defines the strength of bonds in solids; it is a measure of resistance to external deformation [9], it is usually increases as external pressure enhances. Fig.…”

Section: Eos Parametersmentioning

confidence: 99%

First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure

Yagoub¹,

Hadjfatah²,

Louhibi-Fasla³

et al. 2020

J. Nano- Electron. Phys.

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We report the study of high-pressure phases of YN and ScN compounds, using a recent version of the full potential linear muffin-tin orbital (FPLMTO) method, which enables an accurate treatment of the interstitial regions. The local density approximation (LDA) was used for the exchange and correlation energy density functional. Calculations are given for lattice parameters, bulk modulus and its first derivatives in different structures. Under compression, we found that ScN transforms from NaCl-type structure (B1) to Beta-Sn-type (A5) at a pressure of around 301.3 GPa, with a direct energy gap at Γ of about 0.108 eV. This transition B1 to A5 takes place at a lower pressure than the well-known transition NaCl-type structure (B1) to CsCl-type structure (B2) (found here to be 412 GPa). Our calculations also show that YN transforms from B1 to B2 at a pressure of around 198.5 GPa.

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“…The Debye temperature θ D is a fundamental thermodynamical quantity used to describe various physical properties of solids that are related to lattice vibrations [20]. It is well known that the Debye temperature correlates with many other physical properties of materials, namely: elastic constants, specific heat, and melting temperature [20,21]. To relate the Debye temperature θ D with other physical parameters of solids, Kumar et al [22] proposed a linear relationship between the Debye temperature θ D and the plasmon energy ћω p , it is given by the following formula [22]:…”

Section: Debye Temperature Thermal Conductivity and Melting Temperamentioning

confidence: 99%

“…Acoustic waves are the mechanical waves that cannot propagate through vacuum; they can pass through a solid, liquid or gas. When these waves pass through a solid they are known as elastic waves, while when they pass through liquid or gas, they are known as acoustic waves [20]. The knowledge of the sound velocity can play in important role in material science.…”

Section: Sound Velocitymentioning

confidence: 99%

Empirical prediction of thermal properties, microhardness and sound velocity of cubic zinc-blende AlN

Daoud¹

2019

Semicond. phys. quantum electr. optoelectron

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Based on some empirical formulas and some data reported in the literature, this contribution aims to study the correlation between several physical properties of cubic zincblende aluminium nitride (c-AlN) semiconducting material. So, we report an empirical prediction at room temperature of the Debye temperature, Debye frequency, melting temperature, thermal conductivity, Vickers hardness, and sound velocity of c-AlN. Our calculated results are compared with other data of the literature; they are in very good agreement with other data previously published. At room temperature, the Debye temperature was found at around 978.84 K, the thermal conductivity is 3.82 W⋅cm-1 ⋅K-1 , while the melting temperature is around 2967.4 K, respectively. The deviations of the Debye temperature and melting temperature between our obtained values and the theoretical ones of the literature are less than 0.92% and 1.1%, respectively. Our findings on the different quantities of the zinc-blende phase have been compared to those of the hexagonal wurtzite phase. In general, no significant differences in the different quantities values between zinc-blende and wurtzite phases of AlN compound have been observed.

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Properties of group III–V semiconductor: BAs

Cited by 19 publications

References 52 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

First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure

Empirical prediction of thermal properties, microhardness and sound velocity of cubic zinc-blende AlN

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