Related papers: Hubbard interactions in iron-based pnictides and c…
We study the correlation effects on the electronic structure and spin density wave order in Fe-pnictides. Using the multiorbital Hubbard model and Gutzwiller projection, we show that nonperturbative correlation effects are essential to…
It is shown that the qualitative model of the high-temperature superconductivity suggested earlier for cuprates and doped picene and based on the idea that the valence electron state depends on the character of the chemical bonds they form…
The electronic structure in unconventional superconductors holds a key to understand the momentum-dependent pairing interactions and the resulting superconducting gap function. In superconducting Fe-based chalcogenides, there have been…
The first-principles electronic structure calculations made substantial contribution to study of high $T_c$ iron-pnictide superconductors. By the calculations, LaFeAsO was first predicted to be an antiferromagnetic semimetal, and the novel…
Quasi-one-dimensional iron-based ladders and chains, with the 3$d$ iron electronic density $n = 6$, are attracting considerable attention. Recently, a new iron chain system Ba$_2$FeS$_3$, also with $n = 6$, was prepared under high-pressure…
Stimulated by recent works highlighting the indispensable role of Coulomb interactions in the formation of helical chains and chiral electronic order in the elemental chalcogens, we explore the p-orbital Hubbard model on a one-dimensional…
The ability to tune the iron chalcogenides BaFe2Q3 from Mott insulators, to metals and then superconductors with applied pressure has renewed interest in low-dimensional iron chalcogenides and oxychalcogenides. We report here a combined…
The level of electronic correlation has been one of the key questions in understanding the nature of superconductivity. Among the iron-based superconductors, the iron chalcogenide family exhibits the strongest electron correlations. To…
Understanding the nematic phase observed in the iron-chalcogenide materials is crucial for describing their superconducting pairing. Experiments on FeSe$_{1-x}$S$_x$ showed that one of the slow Shubnikov--de Haas quantum oscillation…
We review the current status of point contact spectroscopy on the iron based superconductors, focusing on their normal state. Point contact spectroscopy is generally used to study superconductors via Andreev reflection, but in recent years…
Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the…
Single-crystalline KFe2As2 and CaT2As2 (T = Fe, Co, Ni, Cu) are synthesized and investigated by resistivity, susceptibility and optical spectroscopy. It is found that CaCu2As2 exhibits a similar transition to the lattice abrupt collapse…
Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise…
Establishing the appropriate theoretical framework for unconventional superconductivity in the iron-based materials requires correct understanding of both the electron correlation strength and the role of Fermi surfaces. This fundamental…
The phenomenology of iron-pnictides superconductors can be explained in the framework of a three bands s\pm wave Eliashberg theory with only two free parameters plus a feedback effect i.e. the effect of the condensate on the…
Recent inelastic neutron scattering (INS) measurements on FeSe and Fe(Te$_{1-x}$Se$_x$), have sparked intense debate over the nature of the ground state in these materials. Here we propose an effective bilinear-biquadratic spin model which…
We present a comprehensive comparison of the infrared charge response of two systems, characteristic of classes of the 122 pnictide (SrFe2As2) and 11 chalcogenide (Fe_1.087Te) Fe compounds with magnetically-ordered ground states. In the 122…
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model…
We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid density functional scheme applied to the perovskite family LaMO3 (M=Sc-Cu) and discuss the role of the mixing parameter alpha (which determines the fraction of…
The structural and electronic properties of hypothetical Ru$_x$Fe$_{1-x}$Se and Ru$_x$Fe$_{1-x}$Te systems have been investigated from first principles within the density functional theory (DFT). Reasonable values of lattice parameters and…