Related papers: Spin state transition and covalent bonding in LaCo…
Detailed analysis of the magnetic properties of the Hubbard model within dynamical mean-field theory (DMFT) is presented. Using a RPA-like decoupling of two-particle propagators we derive a universal form for susceptibilities, which…
We argue that in LaCoO3 exists the fine electronic structure associated with the atomic-like states of the Co3+ ions and caused by the crystal-field and intra-atomic spin-orbit interactions. This low-energy fine electronic structure has to…
Spin-density-functional theory of quantum point contacts (QPCs) reveals the formation of a local moment with a net of one electron spin in the vicinity of the point contact - supporting the recent report of a Kondo effect in a QPC. The…
The prototypical Mott-Hubbard insulator LaVO3 undergoes a structural phase transition accompanied by the onset of spin and orbital ordering below 140 K. By combining ultrafast optical pump-probe spectroscopy and two-dimensional electronic…
The electronic properties of paramagnetic V_2O_3 are investigated by the ab-initio computational scheme LDA+DMFT(QMC). This approach merges the local density approximation (LDA) with dynamical mean-field theory (DMFT) and uses numerically…
A local moment approach is developed for the single-particle excitations of a symmetric Anderson impurity model (AIM), with a soft-gap hybridization vanishing at the Fermi level with a power law r > 0. Local moments are introduced…
The pressure evolution of the local structure of Fe2O3 hematite has been determined for the first time by extended x-ray absorption fine structure up to 79 GPa. The comparison to the different high-pressure forms proposed in the literature…
We present a study of the structure, the electric resistivity, the magnetic susceptibility, and the thermal expansion of La$_{1-x}$Eu$_x$CoO$_3$. LaCoO$_3$ shows a temperature-induced spin-state transition around 100 K and a metal-insulator…
LDA+DMFT, the computation scheme merging the local density approximation and the dynamical mean-field theory, is employed to calculate spectra both below and above the Fermi energy and spin and orbital occupations in the correlated…
A pair of magnetic atoms with canted spins Sa, Sb can give rise to an electric dipole moment P. Several forms for the behavior of such a moment have appeared in the theoretical literature, some of which have been invoked to explain…
In the present paper, the Gutzwiller density functional theory (LDA+G) has been applied to study a bilayer system of LaCoO$_3$ grown along the $(111)$ direction on SrTiO$_3$. The LDA calculations show that there are two nearly flat bands…
By means of Dynamical Mean-Field Theory we investigate the spin response function of a model for correlated materials with d- or f-electrons hybridized with more delocalized ligand orbitals. We point out the existence of two different…
The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…
The Local Density Approximation combined with Dynamical Mean-Field Theory (LDA+DMFT method) is applied to the study of the paramagnetic and magnetically ordered phases of hematite Fe$_2$O$_3$ as a function of volume. As the volume is…
The phase diagram of the Kondo lattice Hamiltonian with ferromagnetic Hund's coupling in the limit where the spin of the localized $t_{2g}$ electrons is classical is analyzed in one dimension as a function of temperature, electronic…
We study formation and screening of local magnetic moments in the two-band Hubbard model in the presence of Hund exchange interaction using dynamic mean field theory approach. The characteristic temperatures of the formation, beginning and…
The electronic quasiparticle structure of a ferromagnetic local moment film is investigated within the framework of the s-f model. For the special case of a single electron in an otherwise empty energy band being exchange coupled to a fully…
We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in LaAlO$_3$/SrTiO$_3$ heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized)…
A microscopic theory is presented for the local moment formation near a non-magnetic impurity or a copper defect in high-T_c superconductors. We use a renormalized meanfield theory of the t-J model for a doped Mott insulator and study the…
Magnetic properties of Li$_x$CoO$_2$ for $x = 0.94, 0.75, 0.66$ and $0.51$ were investigated in frames of method combining Generalized Gradient Approximation with Dynamical Mean--Field Theory (GGA+DMFT). We found that a delicate interplay…