相关论文: Hubbard interactions in iron-based pnictides and c…
Deviations of low-energy electronic structure of iron-based superconductors from density functional theory predictions have been parametrized in terms of band- and orbital-dependent mass renormalizations and energy shifts. The former have…
Magnetic properties of iron chalcogenide superconducting materials are investigated using density functional calculations. We find the stability of magnetic phases is very sensitive to the height of chalcogen species from the Fe plane:…
We carried out combined transport and optical measurements for BaFe2As2 and five isostructural transition-metal (TM) pnictides. The low-energy optical conductivity spectra of these compounds are, to a good approximation, decomposed into a…
We present a detailed first principles study of Fe-pnictides with particular emphasis on competing magnetic interactions, structural phase transition, giant magneto-elastic coupling and its effect on phonons. The exchange interactions…
This review discusses and compares electronic spectra of new iron-based high-temperature superconductors (HTSC), as well as a number of chemically similar compounds. Particular attention is payed to iron chalcogenide K_{1-x}Fe_{2-y}Se_2,…
Bad metal properties have motivated a description of the parent iron pnictides as correlated metals on the verge of Mott localization. What has been unclear is whether interactions can push these and related compounds to the Mott insulating…
To perform a local orbital analysis of electronic and magnetic interactions, we construct the Wannier functions (WFs) of the Fe $3d$ orbitals in the parent compound of the recently discovered iron pnictide superconductors, LaFeAsO, and a…
Structure and composition of iron chalcogenides have a delicate relationship with magnetism and superconductivity. In this report we investigate the iron sulfide layered tetragonal phase (t-FeS), and compare with three-dimensional hexagonal…
Correlation effects are observed strong in Iron chalcogenides superconductors by experimental and theoretical investigations. We present a comparative study of the influence of Coulomb interaction and Hund's coupling in the electronic…
New Fe-pnictide heterostructures of the type LnOFeAs/BaFe$_2$As$_2$ (Ln = La, Sm) were grown by pulsed laser deposition (PLD) and investigated. Their common structural unit of [Fe$_2$As$_2$] planes allows perfect matching between the…
Motivated by recent developments in the study of quasi-one-dimensional iron systems with Fe$^{2+}$, we comprehensively study the Fe$^{3+}$ chalcogenide chain system. Based on first-principles calculations, the Fe$^{3+}$ chain has a similar…
Iron chalcogenide superconductors are multi-band systems with strong electron correlations. Here we use angle-resolved photoemission spectroscopy to study band dependent correlation effects in single-layer FeSe/Nb:BaTiO3/KTaO3, a new iron…
Using x-ray absorption and resonant inelastic x-ray scattering, charge dynamics at and near the Fe $L$ edges is investigated in Fe pnictide materials, and contrasted to that measured in other Fe compounds. It is shown that the XAS and RIXS…
We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, $SmO_{1-x}F_{x}FeAs$, using LDA+DMFT. Strong, multi-orbital electronic correlations generate a low-energy pseudogap in the undistorted phase, giving…
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 propose a five-band tight-binding model for the Fe-As layers of iron pnictides with the hopping amplitudes calculated within the Slater-Koster framework. The band structure found in DFT, including the orbital content of the bands, is…
We use inelastic neutron scattering to show that the spin waves in the iron chalcogenide Fe$_{1.05}$Te display novel dispersion clearly different from those in the related iron pnictide systems. By fitting the spin waves to a Heisenberg…
We present calculations of structural and magnetic properties of the iron-pnictide superconductor LaFeAsO including electron-electron correlations. For this purpose we apply a fully charge self-consistent combination of Density-Functional…
High temperature superconductivity in iron pnictides and chalcogenides emerges when a magnetic phase is suppressed. The multi-orbital character and the strength of correlations underlie this complex phenomenology, involving magnetic…
We present results of a detailed theoretical study of the electronic, magnetic, and structural properties of the chalcogenide parent system FeSe using a fully charge self-consistent implementation of the density functional theory plus…