2023
DOI: 10.58452/jpcr.v1i2.24
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Hydrostatic pressure effect on the structural parameters of GaSb semiconducting material: Ab-initio calculations

Abstract: 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 cons… Show more

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Cited by 5 publications
(4 citation statements)
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References 33 publications
(59 reference statements)
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“…The melting point Tm of solids correlates with their elastic constants [19,20]. We note that the melting point Tm of several solids having a cubic structure correlates with the bulk modulus B by this empirical formula: Tm = 9.3B + 607, where Tm is expressed in K, and B is expressed in GPa [17,19]. Using the previous expression, the melting point Tm of K2TlAsCl6 and K2TlAsBr6 semiconducting materials were found to be 830 K and 796 K, respectively.…”
Section: Introductionmentioning
confidence: 75%
See 1 more Smart Citation
“…The melting point Tm of solids correlates with their elastic constants [19,20]. We note that the melting point Tm of several solids having a cubic structure correlates with the bulk modulus B by this empirical formula: Tm = 9.3B + 607, where Tm is expressed in K, and B is expressed in GPa [17,19]. Using the previous expression, the melting point Tm of K2TlAsCl6 and K2TlAsBr6 semiconducting materials were found to be 830 K and 796 K, respectively.…”
Section: Introductionmentioning
confidence: 75%
“…The mass density ρ of material is related to the atomic arrangement and corresponding electron density. The gravimetric density ρ can be calculated as follows: ρ = ZM/NAV [16,17], where Z is the number of molecules per unit cell, M is the molecular weight, NA is the Avogadro constant, and V is the unit cell volume. The acoustic impedance (Z) has been analyzed by the following equation: Z = (ρG)1/2 [18], where G and ρ refer to the shear modulus and compound density, respectively.…”
Section: Introductionmentioning
confidence: 99%
“…It is well know that the Diamond is the hardest material on earth having HV in the range of 70 -150 GPa [53]. The values of HV for ceramics are very smaller than that of the diamond, and higher than that (3.57 GPa) of GaSb [54].…”
Section: Theory and Discussion Of The Resultsmentioning
confidence: 98%
“…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%