Dependence on pressure of the elastic parameters and microhardness of InSb

Algarni, H.; Al-Hagan, Ola; Bouarissa, N.; Khan, M. Ajmal; Alhuwaymel, T.F.

doi:10.1016/j.infrared.2017.09.012

Cited by 16 publications

(7 citation statements)

References 30 publications

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“…The obtained values of Vickers hardness H V of MgCa as a function of pressure up to 16 GPa are listed in Table . A similar trend regarding the Vickers hardness H V versus pressure was observed in compound crystals with metallic bonding, MB 12 (M = Zr, Hf, Y, Lu) with UB 12 ‐type structure, indium antimonide semiconducting materials, cadmium telluride semiconductor compounds, and several hard and superhard materials (diamond, c‐BN, etc) . Nevertheless, an opposite trend in H V versus pressure was observed in the data of Gomis et al .…”

Section: Resultssupporting

confidence: 70%

“…Unfortunately, enormous discrepancies in trends of H as a function of pressure were found in the literature. As a matter of fact, some theoretical models established for calculating the hardness of materials such as compound crystals with metallic bonding, MB 12 (M = Zr, Hf, Y, Lu) with UB 12 ‐type structure, indium antimonide semiconducting compounds, and cubic zinc‐blende cadmium telluride semiconductor compounds, as well as other approaches correlating the hardness H to the bulk modus B , showed that H increases as pressure is elevated. However, other models based on the Pugh's ratio ( G/B ) showed that H decreases with increasing pressure .…”

Section: Resultsmentioning

confidence: 99%

“…We have further studied the elastic stability criteria of MgCa. For cubic crystals, the mechanical stability criteria, namely, C 11 + 2 C 12 > 0, C 11 – C 12 > 0, C 11 > 0, and C 44 > 0 are usually used at equilibrium, but under hydrostatic compression, the new stability criteria as reported in a previous study are given by

K = \frac{1}{3} (C_{11} + 2 C_{12} + P) > 0

G = \frac{1}{2} (C_{11} - C_{12} - 2 P) > 0

G' = (C_{44} - P) > 0

…”

Section: Resultsmentioning

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: Resultssupporting

confidence: 70%

Section: Resultsmentioning

confidence: 99%

K = \frac{1}{3} (C_{11} + 2 C_{12} + P) > 0

G = \frac{1}{2} (C_{11} - C_{12} - 2 P) > 0

G' = (C_{44} - P) > 0

…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

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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“…H can be related to bulk as well as to shear moduli to indicate strength of an alloy. However, it is found that compared with bulk modulus, G V is a superior indicator of hardness for covalent and ionic materials . The microhardness can be calculated using the expression, H = 0.39G V .…”

Section: Elastic Propertiesmentioning

confidence: 99%

“…However, it is found that compared with bulk modulus, G V is a superior indicator of hardness for covalent and ionic materials. 53 The microhardness can be calculated using the expression, H = 0.39G V . The calculated value of H for La 2 CuMnO 6 is 33.76 GPa.…”

Section: Elastic Propertiesmentioning

confidence: 99%

Understanding the origin of half‐metallicity and thermophysical properties of ductile La ₂ CuMnO ₆ double perovskite

Mir

Gupta

2019

Int J Energy Res

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Summary For first time, the magneto‐electronic structure with thermoelectric and mechanical properties of lanthanum‐based double perovskite La2CuMnO6 are investigated, using first‐principle methods. Generalized gradient approximation and modified Becke‐Jhonson potentials are integrated to figure out exchange‐correlation potential. The alloy stabilizes in cubic structure with ferromagnetic nature and determined structural parameters are consistent with experimental results. The band profile reveals the half‐metallic character, which is further confirmed by calculated electronic conductivities of up and down spin channels. The effect of pressure on the structural and electronic profile is demonstrated here. The analysis of the transport properties portrays that the highest value of 0.39 is achieved for figure of merit at higher temperatures. The mechanical stability of La2CuMnO6 is established, by determination of elastic constants. The calculated elastic parameters specify the ductile behavior of alloy with high melting temperature. The efficient thermoelectric parameters with half‐metallic and ductile character suggest the likelihood of applications of alloy to design hard spintronic devices or potential thermoelectric materials.

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Elastic, piezoelectric and thermal properties of zinc-blende AlN under pressure

Daoud

Bouarissa

2019

Theor Chem Acc

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Dependence on pressure of the elastic parameters and microhardness of InSb

Cited by 16 publications

References 30 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

Understanding the origin of half‐metallicity and thermophysical properties of ductile La ₂ CuMnO ₆ double perovskite

Elastic, piezoelectric and thermal properties of zinc-blende AlN under pressure

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Dependence on pressure of the elastic parameters and microhardness of InSb

Cited by 16 publications

References 30 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

Understanding the origin of half‐metallicity and thermophysical properties of ductile La 2 CuMnO 6 double perovskite

Elastic, piezoelectric and thermal properties of zinc-blende AlN under pressure

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Product

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Understanding the origin of half‐metallicity and thermophysical properties of ductile La ₂ CuMnO ₆ double perovskite