相关论文: Magnetism of two-dimensional defects in Pd: stacki…
We report on the origin of ferromagnetic like behaviour observed for 2.4 nm size Pd nanoparticles. Localised magnetic moments on metallic surfaces have been recently shown to induce orbital motion of the itinerant electrons via spin-orbit…
We study relaxation behaviour in the two-dimensional assembly of magnetic nanoparticles (MNPs) with aligned anisotropy axes and positional defects. The anisotropy axes orientation and disorder strength is changed by varying $\alpha$ and…
Antiferromagnetism in stacked nanographite is investigated with using the Hubbard-type model. The A-B stacking is favorable for the hexagonal nanographite with zigzag edges, in order that magnetism appears. Next, we find that the open shell…
The correct stacking of hexagonal layers is used to obtain accurate estimates for the exchange and anisotropy parameters of the geometrically-frustrated antiferromagnet CuFeO$_2$. Those parameters are highly constrained by the stability of…
Diluted magnetic semiconductors possessing intrinsic static magnetism at high temperatures represent a promising class of multifunctional materials with high application potential in spintronics and magneto-optics. In the hexagonal Fe-doped…
Magnetism in 2D atomic sheets has attracted considerable interest as its existence could allow the development of electronic and spintronic devices. The existence of magnetism is not sufficient for devices, however, as states must be…
Antiferromagnetism in stacked nanographite is investigated with using the Hubbard-type models. The A-B stacking or the stacking near to that of A-B type is favorable for the hexagonal nanographite with zigzag edges, in order that magnetism…
The effects of magnetism on high pressure properties of transition metals and transition metal compounds can be quite important. In the case of Fe, magnetism is responsible for stability of the body-centered cubic (bcc) phase at ambient…
Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic…
Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the…
We study the magnetic properties of the 3d Hubbard model at half-filling in the TPSC formalism, previously developed for the 2d model. We focus on the N\'eel transition approached from the disordered side and on the paramagnetic phase. We…
We report density functional calculations addressing the electronic structure and magnetic properties of delafossite PdCrO2. We find substantial magnetic interactions in the c-axis direction as well as beyond first nearest neighbors…
The formation energy and local magnetic moment of a series of point defects in CaB$_6 $ are computed using a supercell approach within the generalized gradient approximation to density functional theory. Based on these results, speculations…
Low-energy deposition of neutral Pd_N clusters (N=2-7 and 13) on a MgO(001) surface F-center (FC) was studied by spin-density-functional molecular dynamics simulations. The incident clusters are steered by an attractive "funnel" created by…
We study dilute suspensions of magnetic nanoparticles in a nematic host, on two-dimensional (2D) polygons. These systems are described by a nematic order parameter and a spontaneous magnetization, in the absence of any external fields. We…
The ferromagnetism of the checkerboard lattice Hubbard model at quarter filling is one of the few exact ferromagnetic ground states known in the family of Hubbard models. When the nearest neighbor hopping, t1, is negligible compared with…
Starting from a semi-empirical potential designed for Cu, we developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy,…
The relation between three-dimensional lattice structure and magnetism in correlated electron systems is explored for face centered cubic (FCC), body centered cubic (BCC), and simple cubic (SC) lattices. In particular, we question which…
Using first-principles density functional calculations we demonstrate that ferromagnetism can be induced and modulated on an otherwise paramagnetic Pd metal thin-film surface through application of an external electric field. As free…
Deformation twinning is an important deformation mechanism in a variety of materials, including metals and ceramics. This deformation mechanism is particularly important in low-symmetry hexagonal close-packed (hcp) metals such as Magnesium…