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The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the…
The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…
We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…
Effects of electron correlation on the electronic structure and magnetic properties of the Gd(0001) surface are investigated using of the full-potential linearized augmented plane wave implementation of correlated band theory ("LDA+U"). The…
We study the finite-size and surface effects on the thermal and spatial behaviors of the magnetisation of a small magnetic particle. We consider two systems: 1) A box-shaped isotropic particle of simple cubic structure with either periodic…
The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (LSDA), the LSDA+U approach and the local density…
Magnetite ferrite (Fe3O4) nanoparticles have attracted considerable interest due to their tunable physico-chemical properties and relevance in functional materials. In this work, uncoated Fe3O4 nanoparticles and surface-modified Fe3O4…
Morphology, structure and magnetic properties of nanocomposites of magnetite (Fe3O4) nanoparticles and alginic acid (AA) are studied. Magnetite Fe3O4 nanoparticles and the nanoparticles capped with alginic acid exhibit very distinct…
We report on the effect of organic acid capping on the behavior of magnetite nanoparticles. The nanoparticles of magnetite were obtained using microwave activated process, and the magnetic properties as well as the electron magnetic…
It is shown that external magnetic field or magnetization induces electric polarization of microscopic isolated magnetic/non-magnetic hybrid structures due to the spin-dependent electron redistribution and mutual capacity. The…
Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions. We…
Fluorite structure ferroelectrics, especially hafnium oxide, are widely investigated for their application in non-volatile memories, sensors, actuators, RF devices and energy harvesters. Due to the metastable nature of the ferroelectric…
Nano/micro-scale mechanical properties of multiferroic materials can be controlled by the external magnetic or electric field due to the coupling interaction. For the first time, a modularized multi-field nanoindentation apparatus for…
In this paper we report a molecular dynamics study of the effect of the application of magnetic fields on the morphology of nematic nanobridges of 32000 oblate Gay-Berne particles in slit pores favouring homeotropic anchoring. In absence of…
We have studied the effect of local Coulomb interactions on the electronic structure of the molecular magnet Mn12-acetate within the LDA+U approach. The account of the on-site repulsion results in a finite energy gap and an integer value of…
The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some…
Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…
Nanodiamonds (NDs) gained increasing attention in multiple research areas due to the possibility of tuning their physical and chemical features by functionalizing their surface. This has a crucial impact on their electrical properties,…
We discuss the effects of a strong magnetic field in Quantum Wires. We show how the presence of a magnetic field modifies the role played by % which %coefficients corresponding to electron electron interaction % and the Fermi velocity…
The performance characteristics of magnetic nanoparticles towards application, e.g. in medicine, imaging, or as sensors, is directly determined by their magnetization relaxation and total magnetic moment. In the commonly assumed picture,…