Related papers: Weak and strong electronic correlations in Fe supe…
Near a Mott transition, strong electron correlations may enhance Cooper pairing. This is demonstrated in the Dynamical Mean Field Theory solution of a twofold-orbital degenerate Hubbard model with inverted Hund's rules on-site exchange,…
The iron chalcogenide Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ on the Te-rich side is known to exhibit the strongest electron correlations among the Fe-based superconductors, and is non-superconducting for $x$ < 0.1. In order to understand the origin…
We investigate the normal state of the superconducting compound PuCoGa$_5$ using the combination of density functional theory (DFT) and dynamical mean field theory (DMFT), with the continuous time quantum Monte Carlo (CTQMC) and the…
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…
We compare the trends on the strength of electronic correlations across the different phases of elemental Pu focusing on its site and orbital dependence, using a combination of density functional theory (DFT) and dynamical mean field theory…
Electronic correlations were long suggested not only to be responsible for the complexity of many novel materials, but also to form essential prerequisites for their intriguing properties. Electronic behavior of iron-based superconductors…
We show that electron correlations lead to a bad metallic state in chalcogenides FeSe and FeTe despite the intermediate value of the Hubbard repulsion $U$ and Hund's rule coupling $J$. The evolution of the quasi particle weight $Z$ as a…
We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field theory (DFT+DMFT) method. In particular, we employ an…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
We compute the compressibility of the conduction electrons in both bulk orthorhombic FeSe and monolayer FeSe on SrTiO$_3$ substrate, including dynamical electronic correlations within slave-spin mean-field + density-functional theory.…
In quantum materials, electrons that have strong correlations tend to localize, leading to quantum spins as the building blocks for low-energy physics. When strongly correlated electrons coexist with more weakly-correlated conduction…
FeSe is classed as a Hund's metal, with a multiplicity of $d$ bands near the Fermi level. Correlations in Hund's metals mostly originate from the exchange parameter \emph{J}, which can drive a strong orbital selectivity in the correlations.…
Among numerous hypotheses, recently proposed to explain superconductivity in iron-based superconductors [1-9], many consider Fermi surface (FS) nesting [2, 4, 8, 10] and dimensionality [4, 9] as important contributors. Precise determination…
The interplay between structural phase and electronic correlations has been an intriguing topic of research. An prominent example is the pressure-induced uncollapsed to collapsed tetragonal phase transition observed in CaFe$_2$As$_2$, which…
We investigate the electronic structure of the highly anisotropic $\beta$ phase of metallic plutonium, within the combination of density functional theory (DFT) and dynamical mean field theory (DMFT). Its crystal structure gives rise to…
By means of the density functional theory in combination with the dynamical mean-field theory, we tried to examine the electronic structure of hexagonal FeGe, in which the Fe atoms form a quasi-2D layered Kagome lattice. We predict that it…
Using density functional plus dynamical mean-field theory method (DFT+DMFT) with full self-consistency over the charge density, we study the effect of electronic correlations on the electronic structure, magnetic properties,…
A strong electron-phonon interaction arises from the modulation of the superexchange interaction by phonons. As is studied in Phys. Rev. B 70, 184514 (2004), Cu-O bond stretching modes can be soft around (pm pi/a, 0) and (0, pm pi/a), with…
Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe $3d$-orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective…
We study electron-electron Coulomb interactions in electronic systems whose Fermi surfaces possess a finite electric dipole density. Although there is no net dipole moment, we show that electric monopole-dipole interactions can become…