相关论文: Origin of structural and magnetic transitions in B…

A comprehensive first principles study on the electronic topological transition in a number of 122 family of Fe based superconductors is presented. Doping as well as temperature driven Lifshitz transitions are found from first principles…

Direct quantitative correlations between the orbital order and orthorhombicity is achieved in a number of Fe-based superconductors of 122 family. The former (orbital order) is calculated from first principles simulations using…

The electronic structure of NaFeAs is studied with angle resolved photoemission spectroscopy on high quality single crystals. Large portions of the band structure start to shift around the structural transition temperature, and smoothly…

We construct a phase diagram of the parent compound Fe1+xTe as a function of interstitial iron x in terms of the electronic, structural, and magnetic properties. For a concentration of x < 10%, Fe1+xTe undergoes a "semimetal" to metal…

Laser angle-resolved photoemission spectroscopy (ARPES) is employed to investigate the temperature (T) dependence of the electronic structure in BaFe2As2 across the magneto-structural transition at TN ~ 140 K. A drastic transformation in…

We present a combined high-resolution x-ray diffraction and x-ray resonant magnetic scattering (XRMS) study of as-grown BaFe2As2. The structural/magnetic transitions must be described as a two-step process. At T_S = 134.5 K we observe the…

We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture,…

Quantum transitions in Fe-based systems are believed to involve spin, charge and nematic fluctuations. Complex structural phase diagram in these materials often emphasizes importance of covalency in their exotic properties, which is…

We investigate the electronic reconstruction across the tetragonal-orthorhombic structural transition in FeSe by employing polarization-dependent angle-resolved photoemission spectroscopy (ARPES) on detwinned single crystals. Across the…

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,…

The pressure dependence of the structural ($T_s$), antiferromagnetic ($T_m$), and superconducting ($T_c$) transition temperatures in FeSe is investigated on the basis of the 16-band $d$-$p$ model. At ambient pressure, a shallow hole pocket…

The origin of spontaneous electronic nematic ordering provides important information for understanding iron-based superconductors. Here, we analyze a scenario where the $d_{xy}$ orbital strongly contributes to nematic ordering in FeSe. We…

The large anisotropy in the electronic properties across a structural transition in several correlated systems has been identified as the key manifestation of electronic nematic order, breaking rotational symmetry. In this context, FeSe is…

In this paper we address Lifshitz transition induced by applied external magnetic field in a case of iron-based superconductors, in which a difference between the Fermi level and the edges of the bands is relatively small. We introduce and…

From a combination of high resolution angle-resolved photoemission spectroscopy and density functional calculations, we show that BaFe2As2 possesses essentially two-dimensional electronic states, with a strong change of orbital character of…

Hexagonal FeSe thin films were grown on SrTiO3 substrates and the temperature and thickness dependence of their electronic structures were studied. The hexagonal FeSe is found to be metallic and electron doped, whose Fermi surface consists…

The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…

We report the temperature evolution of the detailed electronic band structure in FeSe single-crystals measured by angle-resolved photoemission spectroscopy (ARPES), including the degeneracy removal of the $d_{xz}$ and $d_{yz}$ orbitals at…

We present an ab-initio study of Ru substitution in two different compounds, BaFe2As2 and LaFeAsO, pure and F-doped. Despite the many similarities among them, Ru substitution has very different effects on these compounds. By means of an…

The unusual temperature dependence of the resistivity and its in-plane anisotropy observed in the Fe-based superconducting materials, particularly Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$, has been a longstanding puzzle. Here we consider the effect…