Related papers: Density functional simulation of small Fe nanopart…
The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for several decades; its low-temperature state is reported experimentally either as ferromagnetic or antiferromagnetic by different authors, with a measured ordering…
The scope of this article is to report very detailed results of the measurements of magnetic relaxation phenomena in the new Cu$_{0.5}$Fe$_{2.5}$O$_{4}$ nanoparticles and known CuFe$_{2}$O$_{4}$ nanoparticles. The size of synthesized…
We have investigated structure and properties of small metal clusters using all-electron ab initio theoretical methods based on the Hartree-Fock approximation and density functional theory, perturbation theory and compared results of our…
Some of the synthesis methods and physical properties of iron-oxide based magnetic nanoparticles such as Fe3-xO4 and CoxFe3-xO4 are reviewed because of their interest in health, environmental applications, and ultra-high-density magnetic…
An efficient method for the calculation of ferromagnetic resonant modes of magnetic structures is presented. Finite-element discretization allows flexible geometries and location dependent material parameters. The resonant modes can be used…
Highly sophisticated synthesis methods and experimental techniques allow for precise measurements of magnetic properties of nanoparticles that can be reliably reproduced using theoretical models. Here, we investigate the magnetic properties…
In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled…
Research over the years has shown that the formation of the Fe$_3$Si phase in FINEMET (Fe-Si-Nb-B-Cu) alloys leads to superior soft magnetic properties. In this work, we use a CALPHAD approach to derive Fe-Si phase diagrams to identify the…
Structural and magnetic properties of Fe@Pt core-shell nanostructure prepared by a sequential reduction process are reported. Transmission electron microscopy (TEM) shows nearly spherical particles fitting a lognormal size distribution with…
Manipulating the way in which colloidal particles self-organise is a central challenge in the design of functional soft materials. Meeting this challenge requires the use of building blocks that interact with one another in a highly…
The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure…
The magnetic and electronic structures of Fe4O5 have been investigated at ambient and high pressures via a combination of representation analysis, density functional theory (DFT+U) calculations, and M\"ossbauer spectroscopy. A few spin…
First-principles based on density functional theory is used to study the phase stability, elastic, magnetic, and electronic properties of cubic (c)-Fe$_4$C. Our results show that c-Fe$_{4}$C has a ferromagnetic (FM) ground state structure…
Present paper is a review of results, obtained in the framework of semiclassical approach in nanophysics. Semiclassical description, based on Electrostatics and Thomas-Fermi model was applied to calculate dimensions of the electronic shell…
The magnetic behavior of $Fe_{3-x}O_4$ nanoparticles synthesized either by high-temperature decomposition of an organic iron precursor or low-temperature co-precipitation in aqueous conditions, is compared. Transmission electron microscopy,…
Understanding how local structural order governs electronic correlations is essential for revealing the microscopic mechanism underlying emergent behavior in two-dimensional magnets. In the layered van der Waals ferromagnet…
Isolated microscopic magnetic particles are used to induce local perturbations in dense colloidal suspensions by rotating an external magnet. Confocal microscopy enables tracking of both the magnetic probe particle and adjacent colloidal…
The Augmented Space Formalism coupled with Recursion method and Density Functional Theory based Tight-Binding Linear Muffin-Tin Orbitals have been applied for a first principles calculation of surface electronic and magnetic properties of…
In the Fe-doped GaN phase-separated magnetic semiconductor GaFeN, the presence of embedded Ga$_y$Fe$_{4-y}$N nanocrystals determines the magnetic properties of the system. Here, through a combination of anomalous x-ray diffraction and…
Using a first principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or $\gamma$-Fe, and hcp, or…