Related papers: Molecular magnetism in the multi-configurational s…
A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…
We extend the recently-developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric response of periodic insulators. Working in the independent-particle framework, we find…
We use a microscopic Slater-Koster tight-binding model with short-range exchange and atomic spin-orbit interactions that realistically captures generic features of ferromagnetic metal nanoparticles to address the mesoscopic physics of…
We present a theoretical approach to calculate the molecular magnetic anisotropy parameters, $D_M$ and $E_M$ for single molecule magnets in any eigenstate of the exchange Hamiltonian, treating the anisotropy Hamiltonian as a perturbation.…
Two-dimensional magnetic garnets exhibit complex and fascinating magnetic domain structures, like stripes, labyrinths, cells and mixed states of stripes and cells. These patterns do change in a reversible way when the intensity of an…
High energy resolution spectroscopic studies of quantum magnets have proven to be extremely valuable in directly accessing magnetodynamics quantities, such as energy barriers, magnetic interactions, lifetime of excited states and…
The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…
We present extensive and accurate calculations for the excited state spectrum of spin-polarized neutral helium in a range of magnetic field strengths up to $10^{12}$ G. Of considerable interest to models of magnetic white dwarf stellar…
This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…
Beautiful theories of magnetic hysteresis based on random microscopic disorder have been developed over the past ten years. Our goal was to directly compare these theories with precise experiments. We first developed and then applied…
We employ the density functional Kohn-Sham method in the local spin-density approximation to study the electronic structure and magnetism of quasi one-dimensional periodic arrays of few-electron quantum dots. At small values of the lattice…
Anomalous X-ray pulsars (AXPs) and soft gamma-ray repeaters (SGRs) are recognized as the most promising magnetar candidates, as indicated by their energetic bursts and rapid spin-downs. It is expected that the strong magnetic field leaves…
The correlation kinetic equation approach is developed that allows describing spin correlations in a material with hopping transport. The quantum nature of spin is taken into account. The approach is applied to the problem of the bipolaron…
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We…
A fundamental motif in frustrated magnetism is the fully mutually coupled cluster of $N$ spins, with each spin coupled to every other spin. Clusters with $N=2$ and $3$ have been extensively studied as building blocks of square and…
The tetrameric Ni(II) spin cluster Ni4Mo12 has been studied by INS. The data were analyzed extensively in terms of a very general spin Hamiltonian, which includes antiferromagnetic Heisenberg interactions, biquadratic 2-spin and 3-spin…
Spin waves in chiral magnetic materials are strongly influenced by the Dzyaloshinskii-Moriya interaction resulting in intriguing phenomena like non-reciprocal magnon propagation and magnetochiral dichroism. Here, we study the non-reciprocal…
Some relevant transport properties of solids do not depend only on the spectrum of the electronic Hamiltonian, but on finer properties preserved only by unitary equivalence, the most striking example being the conductance. When interested…
The magnetism of the rock-salt $fcc$ rare-earth monopnictide HoBi, a candidate topological material with extreme magnetoresistance, is investigated. From the Ho$^{3+}$ non-Kramers $J$=8 spin-orbital multiplet, the cubic crystal electric…
Hamiltonian parameter estimation is crucial in condensed matter physics, but time and cost consuming in terms of resources used. With advances in observation techniques, high-resolution images with more detailed information are obtained,…