相关论文: Tailoring the Magnetic Anisotropy in CoRh Nanoallo…
We present ab-initio calculations of the magnetic moments and magnetic anisotropy energies of small FeCo clusters of varying composition on top of a Cu(100) substrate. Three different cluster layouts have been considered, namely 2x2, 3x3…
The cubic lattice symmetry of ferromagnetic homogeneously disordered alloys is when a compositional modulation is imposed. This can have a profound influence on the magnetocrystalline anisotropy energy (MAE). We describe our ab-initio…
We present a novel finite-temperature second-order perturbation method incorporating spin-orbit coupling to investigate the temperature-dependent site-resolved contributions to the magnetocrystalline anisotropy energy (MAE), specifically…
In this work, compositions of CeFe11X and CeFe10X2 with all 3d, 4d, and 5d transition metal substitutions are considered. Since many previous studies have focused on the CeFe11Ti compound, this particular compound became the starting point…
Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3$d$ and 4$d$ transition metal dimers that have magnetic ground states in most cases. Some of these magnetic dimers have a considerable barrier against…
The structure and static magnetic properties - saturation magnetization, perpendicular anisotropy, spectroscopic g-factor, and orbital magnetization - of thin-film 3d transition metal alloys are determined over the full range of alloy…
The strong perpendicular magnetic anisotropy of $L{\rm1_0}$-ordered FePt has been the subject of extensive studies for a long time. However, it is not known which element, Fe or Pt, mainly contributes to the magnetic anisotropy energy…
Recent work [1] demonstrated high coercivity and magnetic moment in cobalt carbide nanoparticle assemblies and explained the high coercivity from first principles in terms of the high magnetocrystalline anisotropy of the cobalt carbide…
An empirical multiorbital (spd) tight binding (TB) model including magnetism and spin-orbit coupling is applied to calculations of magnetic anisotropy energy (MAE) in CoPt L1_0 structure. A realistic Slater-Koster parametrisation for…
The 5$d$ transition metal oxides, in particular iridates, host novel electronic and magnetic phases due to the interplay between onsite Coulomb repulsion ($U$) and spin-orbit coupling (SOC). The reduced dimensionality brings another degree…
The impact of reduced dimensionality on the magnetic properties of the tetragonal L1$_{0}$ CoPt alloy is investigated from ab-initio considering several kinds of surface defects. By exploring the dependence of the magnetocrystalline…
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…
The magnetic response of nanostructures plays an important role on biomedical applications being strongly influenced by the magnetic anisotropy. In this work we investigate the role of temperature, particle concentration and nanoparticle…
The Fe$_5$PB$_2$ compound offers tunable magnetic properties via the possibility of various combinations of substitutions on the Fe and P-sites. Here, we present a combined computational and experimental study of the magnetic properties of…
Based on first-principles calculation, it has been predicted that the magnetic anisotropy energy (MAE) in Co-doped ZnO (Co:ZnO) depends on electron-filling. Results show that the charge neutral Co:ZnO presents a "easy plane" magnetic state.…
The influence of the mechanical strain and chemical substitution on the magnetic anisotropy energy (MAE) of Cr$_2$O$_3$ is studied using first-principles calculations. Dzyaloshinskii-Moriya interaction contributes substantially to MAE by…
Earlier a magnetic anisotropy for magnetic impurities nearby the surface of non-magnetic host was proposed in order to explain the size dependence of the Kondo effect in dilute magnetic alloys. Recently Giordano has measured the…
Electronic correlation can strongly influence the electronic properties of two-dimensional (2D) materials with open d- or f-orbitals. Herein, by taking single-layer (SL) H-FeBr$_2$ as a representative of the SL H-FeX$_2$ (X=Cl, Br, I)…
Systematic measurements of temperature dependent magnetization, resistivity and angle-resolved photoemission spectroscopy (ARPES) at ambient pressure as well as resistivity under pressures up to 5.25 GPa were conducted on single crystals of…
Electronic structure calculations are used to examine the magnetic properties of Fe$_2$P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is…