Theoretical Investigation of Cubic BaVO<Subscript>3</Subscript> and LaVO<Subscript>3</Subscript> Perovskites via Tran–Blaha-Modified Becke–Johnson Exchange Potential Approach

The full potential linearized augmented plane wave method of density functional theory has been used to investigate the structural, electronic, magnetic and thermoelectric properties of cubic perovskites BaVO₃ and LaVO₃. The ferromagnetic ground state has been found to be stable by comparing the total energies of non-spin-polarized and spin-polarized calculations performed for optimized unit cells. For both compounds, the bond length and tolerance factor are also measured. From the band structures and density of states plots, it is found that both compounds are half-metallic. We found that the presence of V at the octahedral site of these perovskites develops exchange splitting through p-d hybridization, which results in a stable ferromagnetic state. The observed exchange splitting is further clarified from the magnetic moment, charge and spin of the anion and cations. Finally, we also presented the calculated thermoelectric properties of these materials, which show that half-metallic BaVO₃ and LaVO₃ materials are potential contenders for thermoelectric applications.     

Radiation Synthesis and Magnetic Property Investigations of the Graft Copolymer Poly(Ethylene-g-Acrylic Acid)/Fe<Subscript>3</Subscript>O<Subscript>4</Subscript> Film

In this work, acrylic acid (AAc) monomer was grafted onto low-density polyethylene (LDPE) films by the direct method to obtain acid (LDPE-grafted poly(acrylic acid) (LDPE-g-PAAc)) graft copolymers. The presence of the grafted PAAc with COOH groups allows coupling with Fe^2+/3+ ions. The stabilization of Fe₃O₄ particles onto the graft copolymers was done by in situ reduction of LDPE-g-PAAc/Fe^2+/3+ with sodium borohydride (NaBH₄) in aqueous solution. The LDPE-g-PAAc graft copolymer and LDPE-g-PAAc/Fe₃O₄ composite films were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC), and electron spin resonance (ESR). The synthesized composites exhibit excellent magnetic properties. The results indicated that the magnetic oxide (Fe₃O₄) was embedded and homogenously dispersed into the surfaces of the graft copolymer films as indicated by SEM. The FT-IR analysis clearly suggests that an AAc monomer was effectively grafted onto LDPE. The XRD studies elucidate the change in the crystallinity of the graft copolymers.

Open image in new window

Graphical Abstract The procedures for magnetic film manufacture LDPE-g-PAAc/Fe₃O₄ using gamma irradiation technique

     

Study of Magnetic Properties of Fe-Doped CuO: Monte Carlo Simulations

Using Monte Carlo simulations, we are studying the magnetic properties of Fe-doped CuO thin films. The total magnetizations and the susceptibilities are studied as a function of the effect doping, external magnetic field, and exchange coupling. The critical temperature is discussed as a function of the effect of iron concentration. On the other hand, we investigate the effect of increasing temperatures on the coercive field for a constant value of exchange coupling and a fixed concentration. The coercive magnetic field is found to decrease with increasing temperature values until reaching its null value. The effect of increasing the exchange coupling amount on the saturation magnetic field H _s is illustrated. A linear growth of the saturation magnetic field is found as a function of the exchange coupling interaction. To complete this study, we presented and discussed the magnetic hysteresis cycle loops.     

First-Principle Study of Electronic and Half-Metallic Ferromagnetic Properties of Vanadium (V)-Doped Cubic BP and InP

In this study, we use the first-principle calculations of density functional theory with gradient generalized approximation of Wu–Cohen to investigate the doping effect of vanadium impurity on structural, electronic and magnetic properties of In_1?x V _x P and B_1?x V _x P alloys at various concentrations x = 0.0625, 0.125 and 0.25. Owing to the metallic nature of majority spin and semiconducting minority spin, the In_1?x V _x P compounds exhibit a half-metallic character with total magnetic moments of 2 μ _B, while the B_1?x V _x P has metallic nature for all concentrations. The results of exchange parameters revealed that exchange coupling between vanadium atoms and the conduction band is ferromagnetic, confirming the magnetic feature of In_1?x V _x P and B_1?x V _x P. From our findings, we have predicted that the In_1?x V _x P alloys seem to be potential materials for spintronics.     

A combined approach for modeling particle behavior in granular impact damper using discrete element method and cellular automata

A particle impact damper is a vibration absorber type that consists of a container attached to a primary vibrating structure. It also contains many particles that are constrained to move inside the container, whereby the damping effect can be obtained by collision between particles and the container. The discrete element method (DEM) has been developed for modeling granular systems, where the kinematics of each particle are calculated numerically using the equations of motion. However, the computational time is significant since the algorithm checks for particle contacts for all possible particle combinations. The use of a cellular automata (CA) modeling technique may provide increased computational efficiency due to the local updating of variables, and the discrete treatment of time and space. In this study, we propose a new approach combining DEM with CA for modeling a granular damper under a forced excitation. We use DEM to describe the particle motion according to the equations of motion, while CA is introduced for the particle contact checks in discrete space. We also investigate the effect of simplification in the contact force model, which allows the unit time step of numerical integration to become larger than that used in the strict model. It is shown that the suggested particle contact scanning method and the force approximation model contribute to the reduction of the computational time, and neither degenerates the calculation accuracy nor causes the numerical instability.     

Structure and Magnetic Properties of Ce-Substituted Yttrium Iron Garnet Prepared by Conventional Sintering Techniques

Y_3?xCe _x Fe₅ O ₁₂ (CeYIG) ceramics, with x = 0, 0.15, 0.25, 0.35, 0.45, and 0.5, were fabricated by a conventional ceramic sintering technique. We studied the structures and magnetic fields of a series of CeYIG ceramics using X-ray powder diffraction, a scanning electron microscope, and a superconducting quantum interference device magnetometer. Findings showed that the substitution limit of the concentration of Ce³⁺ ions in the yttrium iron garnet structure was approximately x = 0.25. An extra CeO₂ phase was detected in the ceramic when the addition of CeO₂ content overtook the limit. The lattice constants and relative densities increased by increasing the Ce³⁺ contents in the ceramics. First, the saturation magnetization increased gradually with increases in the substitute concentration of Ce³⁺ ions and then decreased gradually when x = 0.35, 0.45, and 0.5. Overall, this study showed that the Y_3?xCe _x Fe₅ O ₁₂ material with x ≤ 0.15 exhibited excellent magnetic properties. Hence, the material show promise for magneto-optical and microwave communication applications.     

The Effect of Dilute Charged Impurity on the Electronic Heat Capacity and Magnetic Susceptibility of Ferromagnetic MoS<Subscript>2</Subscript>

In this paper, the effects of dilute charged impurity doping on electronic heat capacity (EHC) and magnetic susceptibility (MS) of a two-dimensional material ferromagnetic gapped graphene-like, MoS₂, are investigated within the Green’s function approach by using the Kane-Mele Hamiltonian and self-consistent Born approximation (SCBA) at Dirac points. Our findings show that there is a critical impurity concentration (IC) and scattering strength (ISS) for each valley in EHC and MS curves. Also, we have found that the spin band gap decreases with impurity only for valley K, ↑ and \(K^{\prime }, \downarrow \) due to the existence of inversion symmetry between valleys. On the other hand, a magnetic phase transition from ferromagnetic to antiferromagnetic and paramagnetic has been observed. The increase of scattering rate of carriers in the presence of impurity is the main reason of these behaviors.     

Substitution Effects on Rare-Earth Ions-Doped Nickel-Zinc Ferrite Nanoparticles

Rare-earth ions (RE³⁺)-doped Ni-Zn ferrite nanoparticles with a structural formula of Ni_0.5Zn_0.5Fe_1.8RE_0.2O₄ (RE³⁺ = Nd, Ce, La and Pr) were synthesized at room temperature by a sol-gel auto-combustion method. The structural and magnetic properties of Ni-Zn ferrite samples were carried out by XRD, vibrating sample magnetometer (VSM), field emission scanning electron microscopy (FE-SEM) and FT-IR spectroscopy. XRD pattern of Ni-Zn ferrite revealed that all the diffraction planes are in agreement with cubic spinel phase and the addition of Fe₂O₃ phase was also observed. In the case of RE ions-doped Ni-Zn ferrite in addition to the Fe₂O₃ phase, very low intensity peaks corresponding to some secondary phase are also present. The average crystallite sizes were found to be from 42 to 56 nm using the Scherer formula. The lattice constant (a) values are gradually decreased from 8.378 to 8.349 Å with different substitutions of RE³⁺ ions in the Ni-Zn ferrite samples. VSM analysis revealed that saturation magnetization values are decreased and coercivity values are increased with substitution of different RE³⁺ ions. FE-SEM images exhibits that particles are spherical in shape. FT-IR interpretation revealed that two main metal oxygen bands (564 and 411 cm^?1) are observed in all the substituted Ni-Zn ferrite samples.     

A Novel Particle/Photon Detector Based on a Superconducting Proximity Array of Nanodots

The current frontiers in the investigation of high-energy particles demand for new detection methods. Higher sensitivity to low-energy deposition, high-energy resolution to identify events and improve the background rejection, and large detector masses have to be developed to detect even an individual particle that weakly interacts with ordinary matter. Here, we will describe the concept and the layout of a novel superconducting proximity array which show dynamic vortex Mott insulator to metal transitions, as an ultra-sensitive compact radiation-particle detector.     

Heavy Electron Superconductors in Terms of Block Spin Phenomenology

We investigate the relationship between superconductivity and spin glasses, which were observed to be coexistent in heavy fermion superconductors (HFSs). We begin by explaining the phase of spin glass using concepts of finite-sized block spin. We then introduce the phase of superconductivity in HFSs as collective Cooper pairing, that is, the pairing of block spins with net spin = 1/2, each of which is comprised of a large number of random spins that together produce a majority spin direction. The superconducting Bardeen-Cooper-Schrieffer (BCS)-type phonon-mediated electron-electron interaction is substituted for the BCS-type electron-electron interaction mediated by phonon-enhanced spin flips previously suggested by us. An effective charge of any value stemming from an electron attached to the flux of an electric field can be referred to as a composite charge. The distinguished difference between ours and the original BCS model is the following: (i) another BCS-type interaction, (ii) bare electrons that are substituted for block spins with net spin = 1/2 and net charge = e in the presence of electric fields, and (iii) Fermi-Dirac distributions that are replaced by a new distribution called as Brillouin distribution.