Surface effects in nanoparticles: application to maghemite $\gamma$-Fe_{2}O_{3}

A series of atomistic finite temperature simulations on a model of an FCC lattice of maghemite nanoparticles using the stochastic Landau-Lifshitz-Gilbert (sLLG) equation are presented. The model exhibits a ferromagnetic transition that is in good agreement with theoretical expectations. The simulations also reveal an orientational disorder in the orientational order parameter for $T < 0.5 T_c$ due to pinning of the surface domain walls of the nanoparticles by surface vacancie...

This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions correctly mimic real samples. The proposed approach develops a multistage simulation procedure in which the size and distribution of particles within the hosting matrix is firstly attained by means of the Cell Dynamic System (CDS) model. The 3D...

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, nanoparticles have a constant overall magnetic moment originating from the magnetization of the single-domain particle core surrounded by a surface region hosting spin disorder. In contrast, this work demonstrates the significant increase of ...

Being inspired by a recent study [V. Dimitriadis et al. Phys. Rev. B \textbf{92}, 064420 (2015)], we study the finite temperature magnetic properties of the spherical nanoparticles with core-shell structure including quenched (i) surface and (ii) interface nonmagnetic impurities (static holes) as well as (iii) roughened interface effects. The particle core is composed of ferromagnetic spins, and it is surrounded by a ferromagnetic shell. By means of Monte Carlo simulation bas...

Fe3O4 nanoparticles are one of the most promising candidates for biomedical applications such as magnetic hyperthermia and theranostics due to their bio-compatibility, structural stability and good magnetic properties. However, much is unknown about the nanoscale origins of the observed magnetic properties of particles due to the dominance of surface and finite size effects. Here we have developed an atomistic spin model of elongated magnetite nanocrystals to specifically add...

The magnetic properties of densely packed magnetic nanoparticles (MNP) assemblies are investigated from Monte Carlo simulations. The case of iron oxide nanoparticles is considered as a typical example of MNP. The main focus is put on particle size and size polydispersity influences on the magnetization curve. The particles are modeled as uniformly magnetized spheres isolated one from each other by a non magnetic layer representing the organic coating. A comparison with recent...

We present the results of Monte Carlo simulations of the magnetic properties of individual spherical nanoparticles with the aim to explain the role played by surface anisotropy on their low temperature magnetization processes. Phase diagrams for the equilibrium configurations have been obtained, showing a change from quasi-uniform magnetization state to a state with hedgehog-like structures at the surface as $k_S$ increases. Through the simulated hysteresis loops and the anal...

The role of particle size distribution inherently present in magnetic nanoparticles (NPs) is examined in considerable detail in relation to the measured magnetic properties of oleic acid-coated maghemite ({\gamma}-Fe$_2$O$_3$) NPs. Transmission electron microscopy (TEM) of the sol-gel synthesized $\gamma$-$Fe$$_2$$O$$_3$ NPs showed a log-normal distribution of sizes with average diameter $<D>$= 7.04 nm and standard deviation $\sigma$= 0.78 nm. Magnetization, $M$, vs. temperat...

We study properties of magnetic nanoparticles adsorbed on the halloysite surface. For that a distinct magnetic Hamiltonian with random distribution of spins on a cylindrical surface was solved by using a nonequilibrium Monte Carlo method. The parameters for our simulations: anisotropy constant, nanoparticle size distribution, saturated magnetization and geometrical parameters of the halloysite template were taken from recent experiments. We calculate the hysteresis loops and ...

Iron nanoparticles are among the most promising low-dimensional materials in terms of applications. This particularity is attributable to the magnetic properties of these nanoparticles, which exhibit different allotropes as a function of temperature. In this work, we sought to characterise at the atomic scale how their structural and magnetic transformations can be affected by the size. To achieve this objective, we developed a tight-binding model incorporating a magnetic con...