A5014664986- Heusler alloys: electronic and magnetic properties
- Boron and Carbon Nanomaterials Research
- Intermetallics and Advanced Alloy Properties
- MXene and MAX Phase Materials
- Rare-earth and actinide compounds
- Inorganic Chemistry and Materials
- Semiconductor materials and interfaces
- Chaos control and synchronization
- Advanced Thermoelectric Materials and Devices
- Advanced Condensed Matter Physics
- Nonlinear Dynamics and Pattern Formation
- Magnetic Properties of Alloys
- Advanced Memory and Neural Computing
- Aluminum Alloy Microstructure Properties
- Magnetic properties of thin films
- Quantum chaos and dynamical systems
- Transition Metal Oxide Nanomaterials
- Neural Networks Stability and Synchronization
- Magnetic and transport properties of perovskites and related materials
University of Benin
2017-2024
Using the first-principles density functional theory calculations, we examined effect of uniaxial strain on electronic and magnetic properties full-Heusler alloy N2SrRb. Our results show that N2SrRb is a ferromagnetic alloy, it exhibits half metallic with 100% spin polarisation when no applied. The half-metallic were retained under ranges tensile compressive flip gap was found to increase as increases, while decreases increases. mechanical mechanically stable having ductile characteristics
The study is based on simulations Ubuntu 22.04 LTS using Quantum Espresso software and Perdew–Burke–Ernzerhof’s generalized gradient approximation for the exchange-correlation perspective. projector-augmented wave approach was used to characterize core electrons. lowest ground state energy found in β-phase of KCrAs, indicating its structural stability. KCrAs has an estimated bandgap 2.18837 eV; material a semiconductor half-Heusler alloy with small band gap. exhibited both metallic behavior...
Ab-initio calculations are performed to examine the structural, mechanical, electronic, magnetic and thermodynamic properties of half-Heusler ternary alloys XCrSb (X = H f , Ti, Zr). In this study, spin-polarized density functional theory (DFT) method that is with generalised gradient approximation (GGA) used perform ab-initio investigate physical a novel It was confirmed stable mechanically exhibit ferromagnetic states (FM). The study reveals portray half-metallic character narrow energy...
Ab inito calculations for the total energy and bulk properties of Al3X (X = Mg, Sc Zr) have been carried out using projected augmented-wave (PAW) method within generalized gradient approximation (GGA). The structural, mechanical thermodynamic are also determined Voigt–Reuss–Hill approximation. present results in good agreement with experimental other theoretical obtained by methods. comparative study between aluminium aforementioned binary alloy system shows that best combinations realized...
First-principles calculation investigated the structural, electronic, mechanical, thermodynamic, optical properties and lattice dynamics of 18 valence electron half-Heusler alloys TaIrX (X = Ge Sn). The results reveal that two have a semiconducting nature with flat bands at band maximum, favouring p-type doping. Also, they are dynamically stable phonon–phonon scattering. Sn) mechanically ductile. This is because their B/G ratios higher than critical ratio 1.75. properties, such as real...
The structural, electronic, elastic and mechanical properties of ZrNiPb half-Heusler alloy under pressure ranging from 0 to 25 GPa have been studied using the density functional theory within generalized gradient approximation (GGA). results ambient condition were in good agreement with available theoretical experimental data. Our electronic structure state show that is an indirect bandgap semiconductor a narrow energy gap 0.375 eV. Based on calculated constants (C[Formula: see text],...
The structural, electrical, magnetic, mechanical, and thermodynamic properties of some novel half-Heusler alloys QCrAs(Q=Hf, Ti Zr) are investigated using first principles calculations. results show that the three half Heusler metals they can find application in spintronics industries. They possess magnetic moment 3\mu_B. mechanical shows mechanically stable. B/G ratio ductile nature Poisson’s reveal plasticity TiCrAs ZrCrAs higher than HfCrAs. Debye temperature average sound velocity is...
A modified memristor chaotic oscillator is proposed for a class of four dimensional systems. This modification can serve as an alternative way designing the circuit. We used passive control technique which requires single controller to stabilize system presented in our numerical simulations validation. Our results show that very effective controlling systems.Keywords: Chaos; control; memristor; controllers; oscillator; nonlinear circuit
This work reports the synchronization of a pair four chaotic systems via nonlinear control technique. method has been found to be easy implement and effective especially on two different systems. We paired out which one is new we have six possible pairs. Our numerical results show how systems.Keyword: Synchronization, control, chaos, attractors, controllers, secure communications
An ab initio plane-wave Pseudopotential calculations using the density functional theory (DFT) implementing generalised gradient approximation (GGA) to study structural, elastic constants, phonon dispersion curves, of state and thermal properties BeS. Also we calculated shear modulus, Young’s Poisson’s ratio, Zener’s anisotropic factors. The are agreement with previous experimental theoretical results. quasi-harmonic is applied determine properties, these in good available literatures. major...