Related papers: Surface segregation in nanoparticles from first pr…
The ordered structure of binary alloy nanoparticles determines their magnetic and catalytic characteristics. In the alloys after annealing, one of the components preferentially segregates on the surface to reduce surface energy. This…
We have calculated surface energies and surface magnetic order of various low-indexed surfaces of monoatomic Fe, Co, and Pt, and binary, ordered FePt, CoPt, and MnPt using density functional theory. Our results for the binary systems…
Recent experiments showed that the robust charge-ordering in manganites can be weakened by reducing the grain size down to nanoscale. Weak ferromagnetism was evidenced in both nanoparticles and nanowires of charge-ordered manganites. To…
The kinetics of order-disorder transition of FePt nanoparticles during high temperature annealing is theoretically investigated. A model is developed to address the influence of large surface to volume ratio of nanoparticles on both the…
We present the results of Monte Carlo simulations of a model of a single maghemite ferrimagnetic nanoparticle including radial surface anisotropy distinct from that in the core with the aim to clarify what is its role on the magnetization…
Within the atom-vacancy exchange mechanism in a nearest-neighbor interaction model we investigate the kinetics of surface-induced ordering processes close to the (001) surface of an fcc A_3B-alloy. After a sudden quench into the ordered…
A number of novel experimental and theoretical results have recently been obtained on active soft matter, demonstrating the various interesting universal and anomalous features of this kind of driven systems. Here we consider a fundamental…
Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar…
The growth of binary alloy clusters on a weakly interacting substrate through codeposition of two atomic species is studied by kinetic Monte Carlo simulation. Our model describes salient features of CoPt$_3$-nanoclusters, as obtained…
Nanopatterned FePt nano-dots often exhibit low coercivity and a broad switching field distribution, which could arise due to edge damage during the patterning process causing a reduction in the $L1_{0}$ ordering required for a high…
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 structural and dynamical properties of FePt nanoparticles were studied within the density functional theory. The effect of size and chemical composition on dynamical stability of nanoparticles was investigated for the cuboctahedral and…
We present a microscopic model for nanoparticles, of the maghemite ($\gamma $% -Fe$_{2}$O$_{3}$) type, and perform classical Monte Carlo simulations of their magnetic properties. On account of M\"{o}ssbauer spectroscopy and high-field…
We study a system of hard-core particles sliding downwards on a fluctuating one-dimensional surface which is characterized by a dynamical exponent $z$. In numerical simulations, an initially random particle density is found to coarsen and…
By means of density functional theory we have undertaken a structural, electronic and magnetic survey of the adsorption of the Fe_xPt_y(x,y=<4) clusters on MgO (001) surface under the generalized gradient approximation. We have tested…
The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles modeling based on density-functional theory (DFT). For both…
We investigate the consequence of the dimension reduction on the magnetic anisotropy of FePt and CoPt nanoparticles. Using an extension of the magnetic anisotropy model of N\'eel, we show that, due to a statistical finite size effect,…
The thermodynamic properties of gases have been understood primarily through phase diagrams of bulk gases. However, observations of gases confined in a nanometer space have posed a challenge to the principles of classical thermodynamics.…
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,…
A FePd alloy was nanostructured by severe plastic deformation following two different routes: ordered and disordered states were processed by high pressure torsion (HPT). A grain size in a range of 50 to 150 nm is obtained in both cases.…