Extent and limitations of density functional theory in describing magnetic systems

The performance of density-functional theory to solve the exact, nonrelativistic, many-electron problem for magnetic systems has been explored in a new implementation imposing space and spin symmetry constraints, as in ab initio wave function theory. Calculations on selected systems representative of organic diradicals, molecular magnets and antiferromagnetic solids carried out with and without these constraints lead to contradictory results, which provide numerical illustration on this usually obviated problem. It is concluded that the present exchange-correlation functionals provide reasonable numerical results although for the wrong physical reasons, thus evidencing the need for continued search for more accurate expressions.

Observation of phonon-induced magnetic deflagration in manganites

Very fast magnetic avalanches in (La, Pr)-based manganites are the signature of a phase transition from an insulating blocked charge-ordered antiferromagnetic state to a charge-delocalized ferromagnetic (CD-FM) state. We report here the experimental observation that this transition does not occur either simultaneously or randomly in the whole sample but there is instead a spatial propagation with a velocity of the order of tens of m/s. Our results show that avalanches originate from the inside of the sample, move to the outside, and occur at values of the applied magnetic field that depend on the CD-FM fraction in the sample. Moreover, upon application of surface acoustic waves at constant magnetic fields, we are able to trigger avalanches at very well-determined values of the temperature and magnetic field. Due to the interaction with the acoustic waves, the number of isolated ferromagnetic clusters in La0.225Pr0.40Ca0.375MnO3 starts to grow across the entire sample in the same way as if it were a magnetic deflagration.

Local character of magnetic coupling in ionic solids

Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy differences associated with quantum states defining the Heisenberg constant J. For a series of ionic solids including KNiF3, K2NiF4, KCuF3, K2CuF4, and high- Tc parent compound La2CuO4, the J experimental value is quantitatively reproduced. This result has fundamental implications because J values have been calculated from a finite cluster model whereas experiments refer to infinite solids. The present study permits us to firmly establish that in these wide-gap insulators, J is determined from strongly local electronic interactions involving two magnetic centers only thus providing an ab initio support to commonly used model Hamiltonians.

Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulations

The magnetic structure of the edge-sharing cuprate compound Li2CuO2 has been investigated with highly correlated ab initio electronic structure calculations. The first- and second-neighbor in-chain magnetic interactions are calculated to be 142 and -22 K, respectively. The ratio between the two parameters is smaller than suggested previously in the literature. The interchain interactions are antiferromagnetic in nature and of the order of a few K only. Monte Carlo simulations using the ab initio parameters to define the spin model Hamiltonian result in a Nel temperature in good agreement with experiment. Spin population analysis situates the magnetic moment on the copper and oxygen ions between the completely localized picture derived from experiment and the more delocalized picture based on local-density calculations.

On the Tailoring of Magnetic Properties of Fe-Based Alloy Thin Films by Swift Heavy Ion Irradiation and Thermal Annealing

The development of new materials has been the hall mark of human civilization. The quest for making new devices and new materials has prompted humanity to pursue new methods and techniques that eventually has given birth to modern science and technology. With the advent of nanoscience and nanotechnology, scientists are trying hard to tailor materials by varying their size and shape rather than playing with the composition of the material. This, along with the discovery of new and sophisticated imaging tools, has led to the discovery of several new classes of materials like (3D) Graphite, (2D) graphene, (1D) carbon nanotubes, (0D) fullerenes etc. Magnetic materials are in the forefront of applications and have beencontributing their share to remove obsolescence and bring in new devices based on magnetism and magnetic materials. They find applications in various devices such as electromagnets, read heads, sensors, antennas, lubricants etc. Ferromagnetic as well as ferrimagnetic materials have been in use in the form of various devices. Among the ferromagnetic materials iron, cobalt and nickel occupy an important position while various ferrites finds applications in devices ranging from magnetic cores to sensors.

Finite size effects on the structural and magnetic properties of sol–gel synthesized NiFe2O4 powders

Nanoparticles of nickel ferrite have been synthesized by the sol–gel method and the effect of grain size on its structural and magnetic properties have been studied in detail. X-ray diffraction (XRD) studies revealed that all the samples are single phasic possessing the inverse spinel structure. Grain size of the sol–gel synthesized powders has been determined from the XRD data and the strain graph. A grain size of 9 nm was observed for the as prepared powders of NiFe2O4 obtained through the sol–gel method. It was also observed that strain was induced during the firing process. Magnetization measurements have been carried out on all the samples prepared in the present series. It was found that the specific magnetization of the nanosized NiFe2O4 powders was lower than that of the corresponding coarse-grained counterparts and decreased with a decrease in grain size. The coercivity of the sol–gel synthesized NiFe2O4 nanoparticles attained a maximum value when the grain size was 15nm and then decreased as the grain size was increased further.

On the magnetic properties of ultra-Þne zinc ferrites

Zinc ferrite belongs to the class of normal spinels where it is assumed to have a cation distribution of Zn2`(Fe3`)2(O2~)4, and it is purported to be showing zero net magnetisation. However, there have been recent reports suggesting that zinc ferrite exhibits anomaly in its magnetisation. Zinc ferrite samples have been prepared by two di¤erent routes and have been analysed using low energy ion scattering, Mo¬ ssbauer spectroscopy and magnetic measurements. The results indicate that zinc occupies octahedral sites, contrary to the earlier belief that zinc occupies only the tetrahedral sites in a normal spinel. The amount of zinc on the B site increases with decrease in particle size. The LEIS results together with the Mo¬ ssbauer results and the magnetic measurements lead to the conclusion that zinc occupies the B site and the magnetisation exhibited by ultraÞne particles of zinc is due to short range ordering

Tailoring magnetic and dielectric properties of rubber ferrite composites containing mixed ferrites

Rubber ferrite composites containing various mixed ferrites were prepared for different compositions and various loadings. The magnetic and dielectric properties of the fillers as well as the ferrite filled matrixes were evaluated separately. The results are correlated. Simple equations are proposed to predetermine the magnetic and dielectric properties. The validity of these equations is verified and they are found to be in good agreement. These equations are useful in tailoring the magnetic and dielectric properties of these composites with predetermined properties

Effect of cobalt doping on the magnetic properties of superparamagnetic g-Fe2O3-polystyrene nanocomposites

Superparamagnetic nanocomposites based on g-Fe2O3 and sulphonated polystyrene have been synthesized by ion exchange process and the preparation conditions were optimized. Samples were subjected to cycling to study the effect of cycling on the magnetic properties of these composites. The structural and magnetization studies have been carried out. Magnetization studies show the dependence of magnetization on the number of ion exchange cycles. Doping of cobalt at the range in to the g-Fe2O3 lattice was effected in situ and the doping was varied in the atomic percentage range 1–10. The exact amount of cobalt dopant as well as the iron content was estimated by Atomic Absorption Spectroscopy. The effect of cobalt in modifying the properties of the composites was then studied and the results indicate that the coercivity can be tuned by the amount of cobalt in the composites. The tuning of both the magnetization and the coercivity can be achieved by a combination of cycling of ion exchange and the incorporation of cobalt

A new inexpensive method for the preparation of acicular precursors for magnetic recording media

Magnetic materials meant for audio/video recording applications necessitate that polycrystalline materials be in acicular shape. So preparation of acicular precursors for magnetic storage materials assumes significance. The employment of aqueous solutions do not produce needle shape crystallites. Glycerol is one of the complexing media used for the precipitation of ferrous oxalate dihydrate. An inexpensive method using starch for preparation of acicular particles is described. The influence of an additive namely Gd on acicularity is also investigated

Magnetic field-induced cluster formation and variation of magneto-optical signals in zinc-substituted ferrofluids

Fine magnetic particles (sizeffi100A ˚ ) belonging to the series ZnxFe1 xFe2O4 were synthesized by cold co-precipitation methods and their structural properties were evaluated using X-ray diffraction. Magnetization studies have been carried out using vibrating sample magnetometry (VSM) showing near-zero loss loop characteristics. Ferrofluids were then prepared employing these fine magnetic powders using oleic acid as surfactant and kerosene as carrier liquid by modifying the usually reported synthesis technique in order to induce anisotropy and enhance the magneto-optical signals. Liquid thin films of these fluids were prepared and field-induced laser transmission through these films was studied. The transmitted light intensity decreases at the centre with applied magnetic field in a linear fashion when subjected to low magnetic fields and saturate at higher fields. This is in accordance with the saturation in cluster formation. The pattern exhibited by these films in the presence of different magnetic fields was observed with the help of a CCD camera and was recorded photographically

Processability And Magnetic Properties Of Rubber Ferrite Composites Containing Barium Ferrite

Rubber ferrite composites (RFC) are magnetic polymer composites and have a variety of applications as flexible magnets, pressure=photo sensors, and microwave absorbers. The mouldability into complex shapes is one of the advantages of these magnetic elastomers. They have the potential of replacing the conventional ceramic materials, due to theire flexible nature. In the present study, the incorporation of pre-characterized hexagonal ferrites, namely barium ferrite (BaFe12O19), into natural rubber matrix is carried out according to a suitable recipe for various loadings of the filler. The processability of these compounds was determined by evaluating the cure characteristics: scorch time, cure time, and minimum and maximum torque. It has been found that the addition of magnetic fillers does not affect the processability of the composites, whereas the physical properties are modified. The magnetic properties of these composites containing various loadings of the magnetic filler were also investigated. The magnetic properties of RFC can be controlled by the addition of appropriate amount of the ferrite filler.

Magnetic and processability studies of nitrile rubber vulcanisates containing barium ferrite and carbon black

Fine particles of barium ferrite (BaFe12O19) belonging to the M-type hexagonal ferrites were prepared by the conventional ceramic techniques. They were incorporated into a nitrile rubber matrix according to a specific recipe for various loadings to produce rubber ferrite composites (RFC). The percolation threshold is not reached for a maximum loading of 130 phr (parts per hundred rubber). Here in this paper, the magnetic properties and processability of the nitrile rubber based RFCs containing barium ferrite (BaF) and HAF carbon black is reported. The magnetic properties of the ceramic ferrite and these rubber ferrite composites were evaluated and it was found that the coercivity values of RFCs were less than that of the ceramic BaF, but remained constant with the loading of both the ferrite filler and carbon black. However, other properties like saturation magnetization and magnetic remanence increased with the loading of ferrite filler.