Related papers: Exchange parameters in Fe-based molecular magnets
The low temperature magnetization process of the ferromagnetic-antiferromagnetic Heisenberg chain is studied using the interacting boson approximation. In the low field regime and near the saturation field, the spin wave excitations are…
Using an exact mapping transformation method, magnetic properties of a spin-1/2 and spin-1 doubly decorated Ising-Heisenberg model are investigated in detail. By assuming that both interaction parameters are ferromagnetic, we found in…
We investigate the bulk magnetic, electron paramagnetic resonance, and magneto-optical properties of {Ni4Mo12}, a magnetic molecule with antiferromagnetically coupled tetrahedral {Ni4Mo12} in a diamagnetic molybdenum matrix. The…
We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…
Half-metallicity, low magnetic damping and high curie temperature (TC) are crucial for application in spintronics and full Heusler alloys in this regard exhibit remarkable properties. Herein, we have considered Co2FeAl (CFA) and Fe2CoAl…
Using noncollinear first-principles calculations we perform a systematic study of the magnetic order in several families of ferropnictides. We find a fairly universal energy dependence on the magnetization order in all cases. Our results…
Magnetic phase diagram for the Hubbard model on the Beta-Mn type lattice has been calculated as a function of the Coulomb interaction energy parameter U and the electron number per atom n by using the generalized Hartree-Fock approximation…
We present first principles calculations of the atomic and electronic structure of electron-doped LaOFeAs. We find that whereas the undoped compound has an antiferromagnetic arrangement of magnetic moments at the Fe atoms, the doped system…
In 1987, Liechtenstein et al. came up with the idea to formulate the problem of interatomic exchange interactions, which would describe the energy change caused by the infinitesimal rotations of spins, in terms of the magnetic…
The superexchange intertacion in transition-metal oxides, proposed initially by Anderson in 1950, is treated using contemporary tight-binding theory and existing parameters. We find also a direct exchange for nearest-neighbor metal ions,…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and…
The Pair Approximation method is applied to the antiferromagnetic Heisenberg-Ising spin-1/2 bilayer with a simple cubic crystalline structure. The method allows for self-consistent calculations of thermodynamic quantities, based on the…
We present a rotationally invariant Hirsch-Fye quantum Monte Carlo algorithm in which the spin rotational invariance of Hund's exchange is approximated by averaging over all possible directions of the spin quantization axis. We employ this…
Correlated phenomena such as magnetism and Mott phase are a very controversial issue in two-dimensional transition metal dichalcogenides (TMDCs). With the aim of finding the value of correlation strength and understanding the origin of…
We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the…
Optical spectroscopy, X-ray diffraction measurements, density functional theory (DFT) and density functional theory + embedded dynamical mean field theory (DFT+eDMFT) have been used to characterize structural and electronic properties of…
Using a Langmuir-Blodgett (LB) synthesis method, novel two-dimensional (2D) mixed-spin magnetic systems, in which each magnetic layer is both structurally and magnetically isolated, have been generated. Specifically, a 2D Fe-Ni…
We study the thermodynamics of the delta-chain with competing ferro- and antiferromagnetic interactions in an external magnetic field which generalizes the field-free case studied previously. This model plays an important role for the…
We have extended the momentum-dependent local-ansatz (MLA) wavefunction method to the first-principles version using the tight-binding LDA+U Hamiltonian for the description of correlated electrons in the real system. The MLA reduces to the…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the…