We used density functional theory (DFT) calculations to investigate the structural, electronic, magnetic, mechanical, and thermodynamic properties of CoYSb (Y = Cr, Mo W) compounds. These are XYZ type half-Heusler alloys, which also exist in face centred cubic MgAgAs-type structure conform F4¯3m space group. computed these three different atomic arrangements known as Type-I, Type-II, Type-III phases. In all phases, alloys were found be ferromagnetic state. Furthermore, calculated electronic...

Abstract Heusler alloys have attracted much attention due to their unusual physical properties for potential device applications. Here, we study Osmium-based half-Heusler OsYSb(Y=Ta, Nb, V) by density functional theory (DFT) simulations code. We show the semiconductor
nature of these based on computed band gaps with and without SOC, as confirmed both structure, PDOS DOS, which is necessary thermoelectric (TE) calculations. Due flat valence bands close Fermi level, Seebeck coefficient...

The density functional theory was used to explore the structural, electronic, dynamical, and thermoelectric properties of a VIrSi half-Heulser (HH) alloy. minimum lattice constant 5.69 (Å) obtained for band structure projected states this HH alloy were calculated, gap between valence conduction bands noted be 0.2 eV. In addition, quasi-harmonic approximation predict dynamical stability At 300 K, Seebeck coefficient 370 −270 μV.K−1, respectively, achieved p n-type doping. From power factor...

Cleaner and affordable energy demand in The Gambia has gained a lot of prominence recent years, with many people shifting towards solar PV installation. However, the interest utilizing continued to witness remarkable setback developing countries due economic factors limitations situ measurements. latter steered researchers explore empirical models predict global radiation aid available meteorological data. This study estimates monthly (HG) using modified Angstrom newly developed model at two...

The density functional theory was used to explore the structural, electronic, dynamical, and thermoelectric properties of a VIrSi Half-Heulser (HH) alloy. minimum lattice constant 5.69 ( ̊A) obtained for Besides, band structure projected states this HH alloy were calculated, gap between valence conduction bands noted be 0.2 eV. Also, quasi-harmonic approximation predict dynamical stability At 300 K, Seebeck Coefficient 370 -270 μV.K−1., respectively, achieved p n-type...

Abstract The CoYSb (Y = Cr, Mo and W) compounds which are XYZ type half-Heusler alloys also exist in the face centred cubic MgAgAs-type struc-ture conform to F ̄43m space group. In present work, these compoundsare investigated different atomic arrangements called, Type-I, Type-II andType-III phases, using Generalized Gradient Approximation (GGA) Density Functional Theory (DFT) implemented QE (Quantum EspressoAb-Initio Simulation Package). ferromagnetic state of is studied after investigating...

The interest in utilizing solar energy has continued to witness a remarkable setback developing countries due the limitations for situ measurements. This steered researchers explore empirical models predict global radiation with aid of available geographical terrain data and meteorological parameters. study estimates monthly using modified Angstrom newly developed model at two locations Gambia. results ranged from 9.0-27.0 MJm - 2day or 2.5-7.5 kWh/m2 Yundum 8.0-28.0 2.2-7.8 Basse. potential...

Abstract We used Density Functional Theory (DFT) calculations to investigate the structural, electronic, magnetic, mechanical and thermodynamic properties of CoYSb (Y = Cr, Mo W) compounds. These are XYZ type half-Heusler alloys, which also exist in face centred cubic MgAgAs-type structure conform F¯43m space group. computed these three different atomic arrangements known as Type-I, Type-II Type-III phases. In all phases, alloys were found be ferromagnetic state. Furthermore, calculated...