Related papers: Orbital Kondo Effect in $CrO_{2}$: A LSDA+DMFT Stu…
The Co-intercalated NbS$_2$ (Co$_{1/3}$NbS$_2$) compound exhibits large anomalous Hall conductance, likely due to the non-coplanar magnetic ordering of Co spins. In this work, we study the relation between this novel magnetism and the…
Transition metal oxide heterostructures often, but by far not always, exhibit strong electronic correlations. State-of-the-art calculations account for these by dynamical mean field theory (DMFT). We discuss the physical situations in which…
In order to resolve the long-standing issue of how the itinerant ferromagnetism is affected by the lattice structure and Hund's coupling, we have compared various three-dimensional lattice structures in the single- and multiorbital Hubbard…
We apply the dynamical mean field theory (DMFT) in the iterative perturbation theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a simple cubic lattice and calculate the spectrum and optical conductivity in…
Quantum phase transitions in metals are often accompanied by violations of Fermi liquid behavior in the quantum critical regime. Particularly fascinating are transitions beyond the Landau-Ginzburg-Wilson concept of a local order parameter.…
We present {\it ab initio} LDA+DMFT results for the many-particle density of states of $VO_{2}$ on the metallic side of the strongly first-order ($T$-driven) insulator-metal transition. In strong contrast to LDA predictions, there is {\it…
We study the Kondo effect in a quantum dot coupled to half-metallic ferromagnetic electrodes in the regime of strong on-dot correlations. Using the equation of motion technique for nonequilibrium Green functions in the slave boson…
A new ``Dynamical Mean-field theory'' based approach for the Kondo lattice model with quantum spins is introduced. The inspection of exactly solvable limiting cases and several known approximation methods, namely the second-order…
Using a combination of first-principles density functional theory (DFT) calculations and exact diagonalization studies of a first-principles derived model, we carry out a microscopic analysis of the magnetic properties of the half-metallic…
The theoretical description of photoemission spectra of transition metals was greatly improved recently by accounting for the correlations between the d electrons within the local spin density approximation (LSDA) plus dynamical mean field…
We present a computational study of 2$p$ core-level X-ray photoemission spectra of transition metal monoxides MO (M=Ni, Co, Mn) and sesquioxides M$_2$O$_3$ (M=V, Cr, Fe) using a theoretical framework based on the local-density approximation…
We present a many-body approach to the electronic and magnetic properties of the (multiband) Kondo-lattice model with ferromagnetic interband exchange. The coupling between itinerant conduction electrons and localized magnetic moments…
A novel approach to investigation of correlation effects in the electronic structure of magnetic crystals which takes into account a frequency dependence of the self energy (so called ``LDA++ approach'') is developed. The fluctuation…
We study the Kondo effect of a two-orbital vertical quantum dot (QD) coupled to two ferromagnetic leads by employing an equation of motion method. When the ferromagnetic leads are coupled with parallel spin polarization, we find three peaks…
We present a state-of-the-art density functional theory (DFT) study which models crucial features of the partially disordered orbital order stacking in the prototypical layered transition metal dichalcogenide 1T-TaS2 . Our results not only…
Recent neutron scattering experiments on V2O3 show that the magnetic fluctuations on the metallic side of the antiferromagnetic metal-insulator transition are not related to the spin structure of the insulator, but rather to the…
We present parameter-free LDA+DMFT (local density approximation + dynamical mean field theory) results for the many-body spectra of cubic SrVO3 and orthorhombic CaVO3. Both systems are found to be strongly correlated metals, but not on the…
Iron, cobalt and nickel are archetypal ferromagnetic metals. In bulk, electronic conduction in these materials takes place mainly through the $s$ and $p$ electrons, whereas the magnetic moments are mostly in the narrow $d$-electron bands,…
The use of effective local Coulomb interactions that are dynamical, that is, frequency-dependent, is an efficient tool to describe the effect of long-range Coulomb interactions and screening thereof in solids. The dynamical character of the…
Metallic magnetism is both ancient and modern, occurring in such familiar settings as the lodestone in compass needles and the hard drive in computers. Surprisingly, a rigorous theoretical basis for metallic ferromagnetism is still largely…