Related papers: LiV2O4: Hund-Assisted Orbital-Selective Mottness
We report a quantum phase transition between orbital-selective Mott states, with different localized orbitals, in a Hund's metals model. Using the density matrix renormalization group, the phase diagram is constructed varying the electronic…
Physical properties of multi-orbital materials depend not only on the strength of the effective interactions among the valence electrons but also on their type. Strong correlations are caused by either Mott physics that captures the Coulomb…
Strong electronic correlations are often associated with the proximity of a Mott insulating state. In recent years however, it has become increasingly clear that the Hund's rule coupling (intra-atomic exchange) is responsible for strong…
With density functional theory plus dynamical mean-field theory, we study the influence of Hund's coupling on the nature of electronic correlations in $\mathrm{Sr_2CoO_4}$. Our results suggest strong signatures of Hund's metal physics in…
We present electronic structure calculations of a CrO$_{2}$ compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO$_{2}$ in the…
We present a scenario that the multi-component fluctuations, especially those of the spin-orbital coupled modes, lead to the mass enhancement observed in LiV_2O_4. This phenomena is possible because all these modes are fluctuating due to…
A paradigmatic case of multi-band Mott physics including spin-orbit and Hund's coupling is realised in Ca$_2$RuO$_4$. Progress in understanding the nature of this Mott insulating phase has been impeded by the lack of knowledge about the…
While the superconducting transition temperature of hole-doped Ba_{1-x}K_{x}Fe_{2}As_{2} decreases past optimal doping, superconductivity does not completely disappear even for the fully doped KFe_{2}As_{2} compound. In fact,…
Studies of the effects of the Hund's rule coupling J_H in multiple orbit impurities or quantum dots using different models have led to quite different predictions for the Kondo temperature T_K as a function of J_H. We show that the…
We show how in multi-band materials, the Hund's coupling plays a crucial role in tuning the degree of electronic correlation. While in half-filled systems it enhances the correlations, in all other cases it pushes the boundary for the Mott…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
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…
We study by dynamical mean field theory the ground state of a quarter-filled Hubbard model of two bands with different bandwidths. At half-filling, this model is known to display an orbital selective Mott transition, with the narrower band…
We show that spin-orbit coupling (SOC) plays Janus-faced roles on the orbitally-selective Mott transitions in a three-orbital Hubbard model with crystal field splitting at a specific filling of $2/3$, which is a minimal Hamiltonian for…
We extend an approximation earlier developed by us for the single-impurity Anderson model to a full-size impurity solver for models of interacting electrons with multiple orbitals. The approximation is based on parquet equations simplified…
The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. As we approach it from large doping, a standard Fermi-liquid gradually turns into a bad non-Fermi liquid metal, a process which…
Inspired by recent experiments on 3He films between one and two atoms thick, we consider a bilayer Hubbard model on a triangular lattice. Our results are obtained in the framework of a cluster dynamical mean-field calculation with a quantum…
We propose a way to identify strongly Hund-correlated materials by unveiling a key signature of Hund correlations at the two-particle level. The defining feature is the {\it sign} of the response of the {\it frozen spin ratio} (the…
Electron correlations in the two-orbital Hubbard model at half-filling are investigated by combining dynamical mean field theory with the exact diagonalization method. We systematically study how the interplay of the intra- and inter-band…
The band structure of the cubic spinel compound LiV_2O_4, which has been reported recently to show heavy Fermion behavior, has been calculated within the local-density approximation using a full-potential version of the linear…