相关论文: Weak ferromagnetism in Mn nanochains on the CuN su…
We study the role of static and dynamical Coulomb correlation effects on the electronic and magnetic properties of individual Mn, Fe and Co adatoms deposited on the CuN surface. For these purposes, we construct a realistic Anderson model,…
The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations (LSDA+$U$) included. We show that the inclusion of Coulomb…
The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (LSDA), the LSDA+U approach and the local density…
We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density…
Green function diagrammatic technique is used to investigate a model ferromagnet in the case, when the effective spin at a site is compounded of two anisotropically interacting electron spins. The results are: the transverse magnetic…
The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on the Au(111) metal surface are studied. In…
The problem of weak ferromagnetism in antiferromagnets due to canting of magnetic moments was treated using Green's function technique. At first the eigenvalues and eigenfunctions of the electronic Hamiltonian corresponding to collinear…
We consider a single spherical nanomagnet and investigate the spatial magnetization profile $\mathbf{m}\left(\mathbf{r}\right)$ in the continuum approach, using the Green's function formalism. The energy of the (many-spin) nanomagnet…
A combined experimental, using X-ray Magnetic Circular Dichroism and theoretical investigation, using full-potential Korringa-Kohn-Rostoker (KKR) Green function method, is carried out to study the spin structure of small magnetic Cr…
First-principles calculations of the magnetic anisotropy energy for Mn- and Fe-atoms on CuN/Cu(001) surface are performed making use of the torque method. The easy magnetization direction is found to be different for Mn and Fe atoms in…
Using density functional theory plus Hubbard-U (DFT+U) approach, we find that quasi one-dementation(1D) 3d transition metal(TM) zigzag nanowire can be constructed by TM adsorbed on the surface of graphyne sheet. The results show that the TM…
We study the effects of the exchange interaction between an adsorbed magnetic atom with easy-axis magnetic anisotropy and the conduction-band electrons from the substrate. We model the system using an anisotropic Kondo model and we compute…
We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…
Exchange interactions up to fourth nearest neighbor are shown within a classical local-moment Heisenberg approach to be important to model inelastic neutron scattering data on the fcc kagome antiferromagnet IrMn$_3$. Spin wave frequencies…
The electronic and magnetic properties of Mn coordinated to 1,2,4,5-tetracyanobenzene (TCNB) in the Mn-TCNB 2D metal-ligand networks have been investigated by combining scanning tunneling microscopy and X-ray magnetic circular dichroism…
We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…
The sign, magnitude, and range of the exchange couplings between pairs of Mn ions is determined for (Ga,Mn)N and (Ga,Mn)N:Si with x < 3%. The samples have been grown by metalorganic vapor phase epitaxy and characterized by secondary-ion…
We have developed a fully microscopic theory of magnetic properties of the prototype molecular magnet Mn12. First, the intra-molecular magnetic properties have been studied by means of first-principles density functional-based methods, with…
We report the importance of anisotropic Coulomb interactions in DFT+U calculations of the electronic and magnetic properties of Mn$_3$O$_4$. The effects of anisotropic interactions in Mn$^{2+}$ and Mn$^{3+}$ are separately examined by…
We perform a symmetry analysis of the ABC-stacked kagome planes of Mn atoms common to the $L1_2$ Mn$_3$X and antiperovskite Mn$_3$AB alloys. In addition to the single-ion-anisotropy and Kitaev-type anisotropic exchange known to stabilize…