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Full-Text Articles in Physics
Thermodynamic Properties Of V, Cr, Mo, And Fe Metals And Their Binary Alloys, Taiwo Akande, Fadeke Matthew-Ojelabi, Gbenga Agunbiade, Ebenezer Babatope Faweya
Thermodynamic Properties Of V, Cr, Mo, And Fe Metals And Their Binary Alloys, Taiwo Akande, Fadeke Matthew-Ojelabi, Gbenga Agunbiade, Ebenezer Babatope Faweya
Turkish Journal of Physics
The interactions between distinctive alloying elements have been scrutinized through atomistic investigation for essential material selection. The tight-binding model was applied to compute the thermodynamic properties of V, Cr, Mo, and Fe metals and their binary alloys. The calculated results agree with the accessible experiment in some cases, while some are closer in agreement with the experiment. The minimum formation enthalpies observed are -17.80, -15.20, -13.10, -11.50, and -0.90 eV for Cr-Mo, Cr-V, Fe-V, V-Fe, and Mo-Cr, respectively. The Cr-Mo alloy is the most stable of all the selected alloys with the least formation enthalpy. For the alloy structure, bcc …
First-Principles Calculations Of Structural, Electronic And Optical Properties Of Zinc-Blende Si_X Ge_{1-X} C Alloys, Ahmed Djedid, Boucif Abbar, Oukacha Abbes
First-Principles Calculations Of Structural, Electronic And Optical Properties Of Zinc-Blende Si_X Ge_{1-X} C Alloys, Ahmed Djedid, Boucif Abbar, Oukacha Abbes
Turkish Journal of Physics
We present first-principles calculations of the structural, electronic and optical properties of zinc-blende Si_x Ge_{1-x} C alloys by application of the full potential linearized augmented plane wave (FP-LAPW) method. In this approach, the generalized gradient approximation was used for the exchange-correlation energy which is based on the optimization of total energy and corresponding potential. The effect of composition on lattice constants, bulk modulus, band gap, real part of the dielectric function \varepsilon \left(0 \right) and refractive index n(0) was investigated. These parameters were found to depend nonlinearly on alloy composition x, except the bulk modulus and the lattice parameter, which …
First-Principles Study Of Cubic B_Xin_{1-X}N Alloys, Abdelhadi Lachebi, Mohamed Sehil, Hamza Abid
First-Principles Study Of Cubic B_Xin_{1-X}N Alloys, Abdelhadi Lachebi, Mohamed Sehil, Hamza Abid
Turkish Journal of Physics
The first ab-initio calculations were carried out for the electronic and structural properties of BInN boron ternary alloys. The full potential linearized augmented plane wave (FP-LAPW) method was employed within density functional theory (DFT). We have investigated the lattice parameters and band gap energies. The lattice constant a exhibits a small downward bowing. The calculated band gap variation gives a small bowing in good agreement with the experimental reports. We notice a direct to indirect band gap crossover at x = 0.83.
Electronic And Structural Properties Of Zincblende B_Xga_{1-X}N, Abdelhadi Lachebi, Hamza Abid
Electronic And Structural Properties Of Zincblende B_Xga_{1-X}N, Abdelhadi Lachebi, Hamza Abid
Turkish Journal of Physics
We present structural and electronic properties of the cubic structure for different concentrations x of ternary alloy B_xGa_{1-x}N. The computational method is based on the full-potential linearised augmented plane wave method (FP-LAPW). The exchange and correlation energy is described in the local density approximation (LDA) and generalized gradient approximation (GGA). We have investigated the effect of composition on the ground state properties, lattice parameters, bulk modulus, pressure derivative and band gap of the zinc blend BN and GaN. The results obtained are in a good agreement with experimental and theoretical values concerning the variation of the gaps and crossover direct, …
Band Gap Of Cubic Aln, Gan And Inn Compounds Under Pressure, S. Berrah, Hamza Abid, A. Boukortt, Mohamed Sehil
Band Gap Of Cubic Aln, Gan And Inn Compounds Under Pressure, S. Berrah, Hamza Abid, A. Boukortt, Mohamed Sehil
Turkish Journal of Physics
Numerical simulation based on FP-LAPW calculations is applied to study the lattice parameters, bulk modulus and band gap energy of zinc blende binaries AlN, GaN and InN under hydrostatic pressure. The results obtained are in a good agreement with experimental and theoretical values.