Related papers: Generalized Hund's rule for two-atom systems
Increasing experimental and theoretical evidence points towards a dual nature of the 5$f$ electrons in actinide-based strongly correlated metallic compounds, with some 5$f$ electrons being localized and others delocalized. In a recent paper…
The conductance through a serial double dot structure for which the inter-dot tunneling is stronger than the tunneling to the leads is studied using the numerical density matrix renormalization group method and analytic arguments. When the…
Three fundamentally different electronic structures for 3d electron states in LaMnO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic-like crystal-field approach that yields the…
Mott metal-insulator transitions in an M-fold orbitally degenerate Hubbard model are studied by means of a generalization of the linearized dynamical mean-field theory. The method allows for an efficient and reliable determination of the…
We present an approach based on the dynamical mean field theory which is able to give the excitation spectrum of a triply degenerate Hubbard model with a Hund's exchange invariant under spin rotation. The lattice problem can be mapped onto…
We investigate the role of Hund's coupling in the spin-wave excitations of the ($\pi, 0$) ordered magnetic state within a five-orbital tight-binding model for iron pnictides. To differentiate between the roles of intraorbital Coulomb…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…
The fundamental controversy about the electronic structure for 3d-electron states in FeBr2 is discussed. We advocate for the localized electron atomic-like many-electron crystal-field approach that yields the discrete energy spectrum, in…
We present a general model which includes the ferromagnetic Kondo lattice and the Hubbard model as special cases. The stability of the ferromagnetic state is investigated variationally. We discuss the mechanism of ferromagnetism in metallic…
In Hund's metals, the local ferromagnetic interaction between orbitals leads to an emergence of complex electronic states with large and slowly fluctuating magnetic moments. Introducing the Hund's coupled mixed valence quantum impurity, we…
The effect of the Hund's J terms in various DFT+U+J corrections to semi-local spin-density functional theory is assessed for a series of four octahedrally coordinated Fe(II) spin-crossover molecules spanning the covalent end of the ligand…
We study tight-binding models of itinerant electrons in two different bands, with effective on-site interactions expressing Coulomb repulsion and Hund's rule. We prove that, for sufficiently large on-site exchange anisotropy, all ground…
We investigate the combined effect of Hund's and spin-orbit (SO) coupling on superconductivity in multi-orbital systems. Hund's interaction leads to orbital-singlet spin-triplet superconductivity, where the Cooper pair wave function is…
We consider the Kondo-Hubbard model with ferromagnetic exchange coupling $% J_{H}$, showing that it is an approximate effective model for late transition metal-O linear systems. We study the dependence of the charge and spin gaps…
Ground state energies are obtained using the unrestricted Hartree Fock method for up to four interacting electrons parabolically confined in a quantum dot subject to a magnetic field. Restoring spin and rotational symmetries we recover Hund…
Orbital Kondo effect is treated in a model, where additional to the conduction band there are localized orbitals close to the Fermi energy. If the hopping between the conduction band and the localized heavy orbitals depends on the…
Characterizing non-local magnetic fluctuations in materials with strong electronic Coulomb interactions remains one of the major outstanding challenges of modern condensed matter theory. In this work we address the spatial symmetry and…
The bound state spectra of the doublet states in three-electron atomic systems are investigated. By using different variational expansions we determine various bound state properties in these systems. Such properties include the…
A study of the first excited states of beryllium atom starting from explicitly correlated wave functions is carried out. Several properties are obtained and discussed focusing on the analysis of the Hund's rules in terms of the…
We review theoretical investigations on the origin of the orbital selective phase where localized and itinerant electrons coexist in the d shell at intermediate strength of the on-site Coulomb interactions between electrons. In particular,…