445 research outputs found
Magnetic and structural properties of nanocrystalline PrCo
The structure and magnetic properties of nanocrystalline PrCo obtained
from high energy milling technique are investigated by X-ray diffraction, Curie
temperature determination and magnetic properties measurements are reported.
The as-milled samples have been annealed in a temperature range of 1023 K to
1273 K for 30 mn to optimize the extrinsic properties. The Curie temperature is
349\,K and coercive fields of 55\,kOe at 10\,K and 12\,kOe at 293\,K are
obtained on the samples annealed at 1023\,K. A simulation of the magnetic
properties in the framework of micromagnetism has been performed in order to
investigate the influence of the nanoscale structure. A composite model with
hard crystallites embedded in an amorphous matrix, corresponding to the
as-milled material, leads to satisfying agreement with the experimental
magnetization curve. [ K. Younsi, V. Russier and L. Bessais, J. Appl. Phys.
{\bf 107}, 083916 (2010)]. The microscopic scale will also be considered from
DFT based calculations of the electronic structure of Co compounds,
where = (Y, Pr) and = 2,3 and 5.Comment: To be published in J. Phys.: Conference Series in the JEMS 2010
special issue. To be found once published at
http://iopscience.iop.org/1742-659
Electronic Structure and Magnetic Properties of Solids
We review basic computational techniques for simulations of various magnetic
properties of solids. Several applications to compute magnetic anisotropy
energy, spin wave spectra, magnetic susceptibilities and temperature dependent
magnetisations for a number of real systems are presented for illustrative
purposes.Comment: Review article; To appear in Journal of Computational Crystallograph
Tuning magnetocrystalline anisotropy of FeSn by alloying
The electronic structure, magnetic properties and phase formation of
hexagonal ferromagnetic FeSn-based alloys have been studied from first
principles and by experiment. The pristine FeSn compound is known to
fulfill all the requirements for a good permanent magnet, except for the
magnetocrystalline anisotropy energy (MAE). The latter is large, but planar,
i.e. the easy magnetization axis is not along the hexagonal c direction,
whereas a good permanent magnet requires the MAE to be uniaxial. Here we
consider FeSnM, where M= Si, P, Ga, Ge, As, Se, In, Sb,
Te and Bi, and show how different dopants on the Sn sublattice affect the MAE
and can alter it from planar to uniaxial. The stability of the doped FeSn
phases is elucidated theoretically via the calculations of their formation
enthalpies. A micromagnetic model is developed in order to estimate the energy
density product (BH)max and coercive field H of a potential
magnet made of FeSnSb, the most promising candidate
from theoretical studies. The phase stability and magnetic properties of the
FeSn compound doped with Sb and Mn has been checked experimentally on the
samples synthesised using the reactive crucible melting technique as well as by
solid state reaction. The FeSn-Sb compound is found to be stable when
alloyed with Mn. It is shown that even small structural changes, such as a
change of the c/a ratio or volume, that can be induced by, e.g., alloying with
Mn, can influence anisotropy and reverse it from planar to uniaxial and back
Out- versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: tight-binding and first-principles studies
We report tight-binding (TB) and Density Function Theory (DFT) calculations
of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic)
and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are
truncated square pyramids which can be obtained experimentally by deposition of
metal on a SrTiO(001) substrate. For both elements our local analysis shows
that the total MAE of the nanocrystals is largely dominated by the contribution
of (001) facets. However, while the easy axis of Fe(001) is out-of-plane, it is
in-plane for Co(001). This has direct consequences on the magnetic reversal
mechanism of the nanocrystals. Indeed, the very high uniaxial anisotropy of Fe
nanocrystals makes them a much better potential candidate for magnetic storage
devices.Comment: 8 pages, 7 figure
Database of novel magnetic materials for high-performance permanent magnet development
This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. Its main features as software technologies, friendly graphical user interface, advanced search mode, plotting tool and available data are explained in detail. Following the philosophy and standards of Materials Genome Initiative, it contains significant results of novel magnetic phases with high magnetocrystalline anisotropy obtained by three computational high-throughput screening approaches based on a crystal structure prediction method using an Adaptive Genetic Algorithm, tetragonally distortion of cubic phases and tuning known phases by doping. Additionally, it also includes theoretical and experimental data about fundamental magnetic material properties such as magnetic moments, magnetocrystalline anisotropy energy, exchange parameters, Curie temperature, domain wall width, exchange stiffness, coercivity and maximum energy product, that can be used in the study and design of new promising high-performance Rare-Earth free/lean permanent magnets. The results therein contained might provide some insights into the ongoing debate about the theoretical performance limits beyond Rare-Earth based magnets. Finally, some general strategies are discussed to design possible experimental routes for exploring most promising theoretical novel materials found in the database.European Horizon 2020 Framework Programme for Research and Innovation (2014-2020) under Grant Agreement No. 686056, NOVAMAG. European Regional Development Fund in the IT4Innovations national supercomputing center – path to exascale project, project number CZ 02.1.01/0.0/0.0/16–013/0001791 within the Operational Programme Research, Development and Educatio
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