The linear reversal mechanism in FePt grains ranging from 2.316 nm to 5.404 nm has been simulated using atomistic spin dynamics, parametrized from ab-initio calculations. The Curie temperature and the critical temperature (T*), at which the linear re
versal mechanism occurs, are observed to decrease with system size whilst the temperature window T* < T < TC increases. The reversal paths close to the Curie temperature have been calculated, showing that for decreasing system size the reversal path becomes more elliptic at lower temperatures, consistent with the decrease in the Curie temperature arising from finite size effects. Calculations of the minimum pulse duration show faster switching in small grains and is qualitatively described by the Landau-Lifshitz-Bloch equation with finite size atomistic parameterization, which suggests that multiscale modeling of FePt down to a grain size of ~ 3.5 nm is possible.
We demonstrate by means of fully relativistic first principles calculations that, by substitution of Fe by Cr, Mn, Co, Ni or Cu in FePt-L10 bulk alloys, with fixed Pt content, it is possible to tune the magnetocrystalline anisotropy energy by adjusti
ng the content of the non-magnetic species in the material. The changes in the geometry due to the inclusion of each element induces different values of the tetragonality and hence changes in the magnetic anisotropy and in the net magnetic moment. The site resolved magnetic moments of Fe increase with the X content whilst those of Pt and X are simultaneously reduced. The calculations are in good quantitative agreement with experimental data and demonstrate that models with fixed band structure but varying numbers of electrons per unit cell are insufficient to describe the experimental data for doped FePt-L10 alloys.
After the application of an ultrashort laser pulse, the antiferromagnetic alignment in rare earth-transition metal alloys can temporarily become ferromagnetic with the rare-earth polarity. Proposed models merely describe this effect, without showin
g the route for its manipulation. Here we use extensive atomistic spin model simulations and micromagnetic theory for ferrimagnets at elevated temperatures to predict that the polarity of this transient ferromagnetic-like state can be controlled by initial temperature. We show that this arises because the magnetic response of each lattice has a different temperature dependence, at low temperatures the transition metal responds faster than the rare earth, while at high temperatures this role is interchanged. Our findings contribute to the physical understanding and control of this state and thus open new perspectives for its use in ultrafast magnetic devices.
By means of density functional theory (DFT) and the generalized gradient approximation (GGA) we present a structural, electronic and magnetic study of FePt, CoPt, FeAu and FePd based L1$_0$ ordered cuboctahedral nanoparticles, with total numbers of a
toms, N$_{tot}$ = 13, 55, 147. After a conjugate gradient relaxation, the nanoparticles retain their L1$_0$ symmetry, but the small displacements of the atomic positions tune the electronic and magnetic properties. The value of the total magnetic moment stabilizes as the size increases. We also show that the Magnetic Anisotropy Energy (MAE) depends on the size as well as the position of the Fe-atomic planes in the clusters. We address the influence on the MAE of the surface shape, finding a small in-plane MAE for (Fe,Co)$_{24}$Pt$_{31}$ nanoparticles.
