Related papers: Self-doping effect and possible antiferromagnetism…
The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field…
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,…
The recently discovered Fe-based superconductor (FeBS) LaFe2As2 seems to break away from an established pattern that doping FeBS beyond 0.2e/Fe destroys superconductivity. LaFe2As2 has an apparent doping of 0.5e, yet superconducts at 12.1…
We use high resolution angle-resolved photoemission to study the electronic structure of the iron based high-temperature superconductors Ba(Fe$_{1-x}$Ru$_x$)$_2$As$_2$ as a function of Ru concentration. We find that substitution of Ru for…
We report on the direct probing of the Fermi surface in the bulk of the electron-doped superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ at different doping levels by means of magnetoresistance quantum oscillations. Our data reveal a sharp qualitative…
We report electronic structure calculations for BaTi$_2$Sb$_2$O and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The Fermi surface shows several sheets. These include a nested…
We report the discovery of a self-doped multi-layer high Tc superconductor Ba2Ca3Cu4O8F2(F0234) which contains distinctly different superconducting gap magnitudes along its two Fermi surface(FS) sheets. While formal valence counting would…
BaFe$_2$As$_2$ with transition-metal doping exhibits a variety of rich phenomenon from coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FS), formation…
We report density functional calculations of electronic structure and magnetic properties of ternary iron chalcogenide TlFe$_{2}$Se$_{2}$, which occurs in the ThCr$_{2}$Si$_{2}$ structure and discuss the results in relation to the…
The discovery of a new family of high Tc materials, the iron arsenides (FeAs), has led to a resurgence of interest in superconductivity. Several important traits of these materials are now apparent, for example, layers of iron tetrahedrally…
We use angle-resolved photoemission spectroscopy (ARPES) to investigate the electronic properties of the newly discovered iron-arsenic superconductor, Ba(1-x)K(x)Fe2As2 and non-supercondcuting BaFe2As2. Our study indicates that the Fermi…
To understand newly discovered superconductivity in Fe--based systems, we investigate electronic structure and magnetic properties of Fe$_{1+x}$Te using first--principles density functional calculations. While the undoped FeTe has the same…
The electronic structure, magnetism and Fermi surface of a hole self-doped potential iron-based superconductor KCa$_2$Fe$_4$As$_4$O$_2$ (12442) were studied by a first-principes DFT/GGA approach. The projection onto Wannier functions basis…
We report the crystal growth of a new hole-doped iron-based superconductor Ba(Fe$_{0.875}$Ti$_{0.125}$)$_2$As$_2$ by substituting Ti on the Fe site. The crystals are accidentally obtained in trying to grow Ni doped…
The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…
We have performed high-resolution angle-resolved photoemission spectroscopy on heavily overdoped KFe_2As_2 (transition temperature (Tc = 3 K). We observed several renormalized bands near the Fermi level with a renormalization factor of 2-4.…
The electronic structure of electron doped iron-arsenide superconductors Ba(Fe1- xCox)2As2 has been measured with Angle Resolved Photoemission Spectroscopy. The data reveal a marked photon energy dependence of points in momentum space where…
I present the results of first principles calculations of the electronic structure and magnetic interactions for the recently discovered superconductor YFe$_2$Ge$_2$ and use them to identify the nature of superconductivity and quantum…
The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy…
We report on doping dependencies of structural parameters and superconducting transition temperatures in the solid solution (Ba1-xKx)Fe2As2. As the main effect of doping on the crystal structure, we find linear decreasing As-Fe-As bond…