Related papers: Density functional simulation of small Fe nanopart…
The synthesis, crystal structure and magnetic characterization of a high spin cluster comprising eight iron ions, are presented in this contribution. The cluster has formula [(tacn)6Fe8O2(OH)12Br4.3(ClO4)3.7]6H2O, (Fe8PCL) where tacn is the…
A new methodology for micromagnetic simulations of magnetic nanocomposites is presented. The methodology is especially suitable for simulations of two-phase composites consisting of magnetically hard inclusions in a soft magnetic matrix…
The effects of particle roughness and short-ranged non-central forces on colloidal gels are studied using computer simulations in which particles experience a sinusoidal variation in energy as they rotate. The number of minima $n$ and…
The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate…
Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations…
We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…
Nanoscale miniaturization has revolutionized the field of spintronics by enabling exponential growth in areal bit density. A similar leap is also expected in device speeds through successfully harnessing femtosecond magnetization dynamics.…
We address the characterization of molecular nanomagnets at the quantum level and analyze the performance of local measurements in estimating the physical parameters in their spin Hamiltonians. To this aim, we compute key quantities in…
Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…
We argue that to explain recent resonant tunneling experiments on crystals of Mn$_{12}$ and Fe$_8$, particularly in the low-T limit, one must invoke dynamic nuclear spin and dipolar interactions. We show the low-$T$, short-time relaxation…
The magnetic relaxation of ferromagnetic powders has been studied for many years, largely due to its importance to recording technologies. However, only recently have experiments been performed that resolve the magnetic state of individual…
The orbital contribution to the magnetic properties of Fe in systems of decreasing dimensionality (bulk, surfaces, wire and free clusters) is investigated using a tight-binding hamiltonian in an $s, p,$ and $d$ atomic orbital basis set…
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…
We demonstrate quantitative ballistic electron magnetic microscopy (BEMM) imaging of simple model Fe(001) nanostructures. We use in situ nanostencil shadow mask resistless patterning combined with molecular beam epitaxy deposition to…
We present results for the electronic and magnetic structure of Mn and Fe clusters on Nb(110) surface, focusing on building blocks of atomic chains as possible realizations of topological superconductivity. The magnetic ground states of the…
We report on elastic and inelastic neutron scattering from single-grain isotopically-enriched samples to elucidate the local magnetic correlations between Tb$^{3+}$ moments in quasicrystalline i-Tb-Cd. The inelastic neutron scattering…
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using an ab initio local density approximation + dynamical…
First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…