Related papers: Interplay between spin-orbit coupling and van Hove…
Sr$_2$MoO$_4$ is isostructural to the unconventional superconductor Sr$_2$RuO$_4$ but with two electrons instead of two holes in the Mo/Ru-t$_{2g}$ orbitals. Both materials are Hund's metals, but while Sr$_2$RuO$_4$ has a van Hove…
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 report a study of magnetic, thermal, and transport properties of La(3+) substituted Sr2RuO4, performed in order to investigate the effects of additional electron doping in this correlated metal. A gradual enhancement of the electronic…
The electronic structure of the topmost layer in Sr2RuO4 in the close vicinity of the Fermi level is investigated by angle-resolved photoemission spectroscopy (ARPES) with a 7-eV laser. We find that the spin-orbit coupling (SOC) predicted…
The crossover from fluctuating atomic constituents to a collective state as one lowers temperature or energy is at the heart of the dynamical mean-field theory description of the solid state. We demonstrate that the numerical…
In this work, we investigate the microscopic origin of magnetism in $\mathrm{SrCoO_3}$ by incorporating electronic correlations within the dynamical mean-field theory (DMFT) framework. We note a remarkable agreement of the calculated…
Hund's metal is one kind of correlated metal, in which the electronic correlation is strongly influenced by the Hund's interaction. At high temperatures, while the charge and orbital degrees of freedom are quenched, the spin degrees of…
When a van-Hove singularity is located in the vicinity of the Fermi level, the electronic scattering rate acquires a non-analytic contribution. This invalidates basic assumptions of Fermi liquid theory and within perturbative treatments…
We calculate the electronic structure of Sr2RuO4, treating correlations in the framework of dynamical mean-field theory. The approach successfully reproduces several experimental results and explains the key properties of this material: the…
We present a first-principle study of spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4. For nearly degenerate bands, spin-orbit coupling leads to a dramatic change of the Fermi surface with respect to non-relativistic…
Hund's metallicity in 3$d$ transition metal oxides constitutes a rare class of compounds, since they have been long understood considering the dominance of Hubbard $U$. $\mathrm{LiV_2O_4}$\& $\mathrm{Sr_2CoO_4}$ belong to this rare class of…
We investigate the 5d transition metal oxide BaOsO$_3$ within a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT), using a matrix-product-state impurity solver. BaOsO$_3$ has 4 electrons in the t$_{2g}$…
We examine the effects of a van Hove singularity (vHs) in the density of states (DOS) of a two dimensional, $t-t'-U$ Hubbard model within the local approximation. Within our approximation the non-interacting Fermi surface is always retained…
We report the results of a combined study of the normal state resistivity and superconducting transition temperature $T_c$ of the unconventional superconductor Sr$_2$RuO$_4$ under uniaxial pressure. There is strong evidence that as well as…
A van Hove singularity (VHS) often significantly amplifies the electronic instability of a crystalline solid, including correlation-induced phenomena such as Hund's metallicity. We perform a systematic study on the interplay between Hund's…
We use inelastic neutron scattering to study spin fluctuations in Sr$_{1.8}$La$_{0.2}$RuO$_4$, where Lanthanum doping triggers a Lifshitz transition by pushing the van Hove singularity in the $\gamma$ band to the Fermi energy. Strong spin…
Spin-orbit coupling plays a large role in stabilizing the low-temperature orthorhombic phase of La$_{2-x}$Sr$_x$CuO$_4$. It splits the degeneracy of the van Hove singularities (thereby stabilizing the distorted phase) and completely changes…
Recent experiments revealed non-Fermi-liquid resistivity in the unconventional superconductor Sr$_{2}$RuO$_{4}$ when strain pushes one of the Fermi surfaces close to a van Hove singularity. The origin of this behavior and whether it can be…
A first-principles investigation of cubic-BaRuO$_3$, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum Monte-Carlo solver, has been carried out. Non-magnetic…
We investigate superconducting pairing driven by electron-electron interactions in a theoretical model for monolayer MoS$_2$ with the temperature-flow functional renormalization group(fRG). At low doping, the dominant instability is toward…