Related papers: Electronic correlations in Hund metals
We analyze the role of spatial electronic correlations and, in particular, of the magnetic fluctuations in Mott insulators. A half-filled Hubbard model is solved at large strength of the repulsion U on a two-dimensional square lattice using…
Predicting magnetism originating from 2$p$ orbitals is a delicate problem, which depends on the subtle interplay between covalency and Hund's coupling. Calculations based on density functional theory and the local spin density approximation…
There is growing evidence that the hole-doped single-band Hubbard and $t$-$J$ models do not have a superconducting ground state reflective of the high-temperature cuprate superconductors but instead have striped spin- and charge-ordered…
Competition of crystal field splitting and Hund's rule coupling in magnetic metal-insulator transitions of half-filled two-orbital Hubbard model is investigated by multi-orbital slave-boson mean field theory. We show that with the increase…
Correlation is a fundamental statistical measure of order in interacting quantum systems. In solids, electron correlations govern a diverse array of material classes and phenomena such as heavy fermion compounds, Hunds metals, high-Tc…
One of the distinguishing features of an altermagnet is that its spin-up and spin-down bands display a nodal momentum-dependent splitting even in the absence of spin-orbit coupling. While this property has been investigated in many…
Orbital modeling of two electron spins confined in a double quantum dot is revisited. We develop an extended Hund Mulliken approach that includes excited orbitals, allowing for a triplet configuration with both electrons residing in a…
In this paper, we investigate the impact of nonlocal correlations on charge fluctuations in the two-dimensional single-band Hubbard model close to the Mott metal-to-insulator transition, employing the ladder dynamical vertex approximation.…
We address the role of electronic correlations in different kinds of band insulators by using the two-orbital Hubbard model within the dynamical mean-field theory (DMFT). An intriguing finding is that electronic correlations turn a metal…
Many important questions for high-$T_c$ cuprates are closely related to the insulating nature of parent compounds. While there has been intensive discussion on this issue, all arguments rely strongly on, or are closely related to, the…
A double exchange model for degenerate $e_g$ orbitals with intra- and inter-orbital interactions has been studied for the electron doped manganites A$_{1-x}$B$_{x}$MnO$_3$ ($x > 0.5$). We show that such a model reproduces the observed phase…
Using the Density Matrix Renormalization Group and two-leg ladders, we investigate an electronic two-orbital Hubbard model including plaquette diagonal hopping amplitudes. Our goal is to search for regimes where charges added to the undoped…
The recent detailed study of quasi-one-dimensional iron-based ladders, with the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as orbital-selective phases. However, similar studies for $n=6$ iron chains are still rare.…
We propose that electron doped nontransition metal-phthalocyanines (MPc) like ZnPc and MgPc, similar to those very recently reported, should constitute novel strongly correlated metals. Due to orbital degeneracy, Jahn-Teller coupling and…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…
The recent discovery of superconductivity under high pressure in the ladder compound BaFe$_2$S$_3$ has opened a new field of research in iron-based superconductors with focus on quasi one-dimensional geometries. In this publication, using…
The nature of metal-insulator and magnetic transitions is still a subject under intense debate in condensed matter physics. Amongst the many possible mechanisms, the interplay between electronic correlations and spin-orbit couplings is an…
We study the ground-state properties of an extended periodic Anderson model to understand the role of Hund's coupling between localized and itinerant electrons using the density-matrix renormalization group algorithm. By calculating the von…
Motivated by experimental suggestions of anionic redox processes helping to design higher energy lithium ion-battery cathode materials, we investigate this effect using first-principles electronic structure calculations for Li-rich layered…
Motivated by recent experiments on vanadium spinels, $A$V$_2$O$_4$, that show an increasing degree of electronic delocalization for smaller cation sizes, we study the evolution of orbital ordering (OO) between the strong and…