Related papers: The substitution effects on electronic structure o…
We have investigated the effect of atomic substitutions in the FeSe system, which exhibits the simplest crystal structure among the iron-based superconductors. An enhancement of the superconducting transition temperature Tc was observed…
We study the electronic structure of iron-based superconductors FeSe$_{1-x}$Te$_x$ within the density functional theory. We pay particular attention to the pressure effects on the Fermi surface (FS) topology, which seem to be correlated…
The influence of a partial substitution with sulphur into Te sites on the crystal, electronic and magnetic structures of FeTe is investigated by DFT calculations. The results reveal a phase transition from the antiferromagnetic…
The effect of atomic substitution of Te in iron based superconductors FeSe (1:1 type), which exhibits the simplest crystal structure among the iron-based superconductors, has been investigated in terms of structural, electronic transport…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…
Superconducting iron chalcogenide FeSe has the simplest crystal structure among all the Fe-based superconductors. Unlike other iron pnictides, FeSe exhibits no long range magnetic order accompanying the tetragonal-to-orthorhombic structural…
The influence of various strains on crystal and electronic structures of superconducting FeSe has been studied ab initio. We consider changes in the Fermi surface nesting with a vector Q=(0.5,0.5)*(2\pi /a) as crucial for rising…
We report scanning tunneling microscopy studies of the local structural and electronic properties of the iron selenide superconductor K0.73Fe1.67Se2 with TC = 32K. On the atomically resolved FeSe surface, we observe well-defined…
A highly intriguing aspect in iron-pnictide superconductors is the composition-dependent electronic structure, in particular the question if and how charge carriers are introduced to the system upon substitution of Ba by alkali metals or of…
We study the crystalline and electronic properties of the $\textrm{Fe}_{1-x}\textrm{Co}_x\textrm{Se}$ system ($x=0$, 0.25, 0.5, 0.75, and 1.0) using X-ray diffraction, X-ray spectroscopy and density functional theory. We show that the…
We investigated the evolution of the temperature-composition phase diagram of Fe$_{1+y}$Te upon Se substitution. In particular, the effect of Se substitution on the two-step, coupled magneto-structural transition in Fe$_{1+y}$Te single…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
The discovery of high-temperature superconductivity in iron pnictides raised the possibility of an unconventional superconducting mechanism in multiband materials. The observation of Fermi-surface(FS)-dependent nodeless superconducting gaps…
We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum, magnetism and electron-phonon coupling for the superconducting phase FeSe, as well as the related compounds FeS and FeTe. We find that…
Iron-based chalcogenides are complex superconducting systems in which orbitally-dependent electronic correlations play an important role. Here, using high-resolution angle-resolved photoemission spectroscopy, we investigate the effect of…
Rh17S15 has recently been shown to be a strongly correlated superconductor with a transition temperature of 5.4 K. In order to understand the nature of strong correlations we study the effect of substitution of some of the Rh and S atoms by…
Transition-metal substitution in Fe pnictides leading to superconductivity is usually interpreted in terms of carrier doping to the system. We report on a density functional calculation of the local substitute electron density and…
We have carried out an investigation of the structural, magnetic, transport and superconducting properties of Fe$_{1+z}$Te$_{1-x-y}$Se$_x$S$_y$ ceramic compounds, for $z=0$ and some specific Se (0$\leq$ x $\leq$ 0.5) and S (0 $\leq$ y…
We comparatively investigated the transport properties for S- and Te-substituted FeSe thin films under magnetic fields to clarify the origin of the contrasting behavior of the superconducting transition temperature in S and Te substitution.…
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…