Related papers: Exchange interactions and full magnetization proce…
Shuttling of electrons in single-molecule transistors with magnetic leads in the presence of an external magnetic field is considered theoretically. For a current of partially spin-polarized electrons a shuttle instability is predicted to…
Within a rather general tight-binding framework, we studied the magnetic properties of Ni$_{n}$ clusters with $n=9$ through 60. In addition to usual hopping, exchange, and spin-orbit coupling terms, our Hamiltonian also included orbital…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
High resolution inelastic neutron scattering reveals that the elementary magnetic excitations in multiferroic MnWO4 consist of low energy dispersive electromagnons in addition to the well-known spin-wave excitations. The latter can well be…
By combining neutron four-circle diffraction and polarized neutron diffraction techniques we have determined the complex spin structures of a multiferroic, YMn2O5, that exhibits two ferroelectric phases at low temperatures. The obtained…
Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown…
The equilibrium structure and exchange constants of CaMnO$_3$ and LaMnO$_3$ have been investigated using total energy unrestricted Hartree-Fock (UHF) and localised orbital configuration interaction (CI) calculations on the bulk compounds…
The structure and magnetic properties of oligonuclear manganese complex [Mn(hfa)2cpo]2 (where hfa is hexafluoroacetylacetonate dehydrate and cpo is 4-cyanopyridine-N-oxide) are presented. In the unit cell, the dinuclear molecules are well…
Magnetophoretic force acting on a rigid spherical cluster of single-domain nanoparticles in a constant-gradient weak magnetic field is investigated numerically using the Langevin dynamics simulation method. Nanoparticles are randomly and…
An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…
The magnetization switching dynamics of biaxial single-domain homogeneous ferromagnetic particles, in which the two easy axes are perpendicular to each other, is simulated using a 4-state clock model. A zero-field mapping of the statics…
Clustering of the four-nucleon system at kinetic freezeout conditions is studied using path-integral Monte Carlo techniques. This method seeks to improve upon previous calculations which relied on approximate semiclassical methods or…
The magnetization process of the $S=1/2$ distorted diamond spin chain with ferromagnetic interactions is investigated using the numerical diagonalization of finite-size clusters. The level spectroscopy analysis applied for the model with…
We study the one-dimensional SU(4) exchange model under magnetic fields, which is the simplest effective Hamiltonian in order to investigate the quantum fluctuations concerned with the orbital degrees of freedom in coupled spin-orbit…
We have investigated from first-principles an electronic structure and magnetism in MnB4 compound with experimentally observed orthorhombic C12/m1 structure. It is found that Mn tetra-borides (MnB4) is found to have metallic ground state…
Many molecular magnetic clusters, such as single-molecule magnets, are characterized by spin ground states with defined total spin S exhibiting zero-field-splittings. In this work, the spectroscopic intensities of the transitions within the…
Recently, a first successful synthesis of the unknown bulk manganese monocarbide (MnC) has been reported. Suggested as a potential superhard material, the compound is found to crystallize in the zincblende (B3) structure. In the present…
We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully-penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is…
The transverse spin autocorrelation function at an arbitrary temperature are calculated rigorously for the system of $N$ uniformly exchanged quantum spins. At large $N$ the correlator in the para-phase is found to have a Gaussian bump at…
The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…