Related papers: Molecular magnetism in the multi-configurational s…
We study the behavior of the magnetization and the magnetic susceptibility of molecular magnets with complex bridging structure. Our computations are based on a post-Hartree-Fock method accounting for the intricate network of interatomic…
We devise a formalism to investigate in a systematic way the spectroscopic magnetic excitations in molecular magnets. This consists in introducing a bilinear spin Hamiltonian that allows for discrete coupling parameters accounting for…
Magnetic excitations in a Ni$_4$ magnetic molecule were investigated by inelastic neutron scattering and bulk susceptibility ($\chi_\text{bulk}$) techniques. The magnetic excitation spectrum obtained from the inelastic neutron scattering…
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 investigate the spectroscopic magnetic excitations in molecular magnets with complex intermediate structure among the magnetic ions. Our approach consists in introducing a modified spin Hamiltonian that allows for discrete coupling…
Present routes to produce magnetic organic-based materials adopt a common strategy: the use of magnetic species (atoms, polyradicals, etc.) as building blocks. We explore an alternative approach which consists of selective hydrogenation of…
The synthesis of molecular magnets has undergone rapid progress in recent years. Each of the identical molecular units can contain as few as two and up to several dozens of paramagnetic ions (spins). Although these materials appear as…
We investigate magnetic properties in the $S=1$ Kitaev model in the anisotropic limit. Performing the fourth-order perturbation expansion with respect to the $x$-bonds, $y$-bonds, and magnetic field, we derive the effective Hamiltonian,…
The determination of the energy spectra of small spin systems as for instance given by magnetic molecules is a demanding numerical problem. In this work we review numerical approaches to diagonalize the Heisenberg Hamiltonian that employ…
We investigate the magnetic properties of three Mn$_6$ single molecule magnets by means of inelastic neutron scattering and frequency domain magnetic resonance spectroscopy. The experimental data reveal that small structural distortions of…
Magnetic structures and spin excitations are studied across the phase diagram of the geometrically frustrated S = 3/2 quantum antiferromagnet Cs2CoBr4 in magnetic fields applied along the magnetic easy axis, using neutron diffraction,…
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
Electron spin resonance and magnetization data in magnetic fields up to 55 T of a novel multicenter paramagnetic molecular complex [L_2Ni_4(N_3)(O_2C Ada)_4](Cl O_4) are reported. In this compound, four Ni centers each having a spin S = 1…
A multi-band effective-mass Hamiltonian is derived for lattice-matched semiconductor nanostructures in a slowly varying external magnetic field. The theory is derived from the first-principles magnetic-field coupling Hamiltonian of Pickard…
Several new and interesting aspects of neutrino oscillations in a magnetic field are considered: 1) We develop a standard usually used approach to the neutrino spin oscillations in the neutrino mass basis and obtain the effective neutrino…
In the spirit of multi-scale modeling, we develop a theoretical framework for spin-lattice coupling that connects, on the one hand, to ab initio calculations of spin-lattice coupling parameters and, on the other hand, to the magneto-elastic…
We performed inelastic neutron scattering experiments on single crystal samples of a linear magnetoelectric material Mn$_{3}$Ta$_{2}$O$_{8}$, which exhibits a collinear antiferromagnetic order, to reveal the spin dynamics. Numerous modes…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
Magnetic behavior of a spin-1 Heisenberg dimer is analysed in dependence on both uniaxial single-ion anisotropy and XXZ exchange anisotropy in a zero- as well as non-zero longitudinal magnetic field. A complete set of eigenfunctions and…
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective…