Related papers: Electronic Structure of Novel Superconductor Ca4Al…
Electronic structures of superconducting ternaries: La3Ni4Si4, La3Ni4Ge4, La3Pd4Si4, La3Pd4Ge4, and their non-superconducting counterpart, La3Rh4Ge4, have been calculated employing the full-potential local-orbital method within the density…
State-of-the-art quantum chemical methods are applied to the study of the multiorbital correlated electronic structure of a Fe-As compound, the recently discovered LiFeAs. Our calculations predict a high-spin, S=2, ground-state…
Using angle-resolved photoemission spectroscopy (ARPES), we revealed the surface electronic structure and superconducting gap of (Li$_{0.8}$Fe$_{0.2}$)OHFeSe, an intercalated FeSe-derived superconductor without antiferromagnetic phase or…
We study the changes in the Fermi surface with electron doping in the LaFeAsO$_{1-x}$F$_x$ superconductors with density-functional supercell calculations using the linearized augmented planewave (LAPW) method. The supercell calculations…
We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements,…
Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character…
We report an angle-resolved photoemission spectroscopy investigation of the Fermi surface and electronic band structure of BaCo$_{2}$As$_2$. Although its quasi-nesting-free Fermi surface differs drastically from that of its Fe-pnictide…
On experimental side, BaFe$_2$As$_2$ without doping has been made superconducting by applying appropriate pressure (2-6 GPa). Here, we use a full-potential linearized augmented plane wave method within the density-functional theory to…
BaNi2As2 is a superconductor chemically related to the Fe-based superconductors, with a complex and poorly understood structural phase transition. We show based on first principles calculations that in fact there are two distinct competing…
The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…
FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy…
We have studied the newly found superconductor compound LaO$_{1-x}$F$_x$FeAs through the first-principles density functional theory calculations. We find that the parent compound LaOFeAs is a quasi-2-dimensional antiferromgnetic semimetal…
High resolution angle-resolved photoemission measurements have been carried out to study the electronic structure and superconducting gap of the (Tl$_{0.58}$Rb$_{0.42}$)Fe$_{1.72}$Se$_2$ superconductor with a T$_c$=32 K. The Fermi surface…
We use angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of CaFe2As2 - parent compound of a pnictide superconductor. We find that the structural and magnetic transition is accompanied by a three- to…
Here we apply high resolution angle-resolved photoemission spectroscopy (ARPES) using a wide excitation energy range to probe the electronic structure and the Fermi surface topology of the Ba1-xKxFe2As2 (Tc = 32 K) superconductor. We find…
Recent density functional theory (DFT) calculations for KFe2As2 have shown to be insufficient to satisfactorily describe angle-resolved photoemission (ARPES) measurements as well as observed de Haas van Alphen (dHvA) frequencies. In the…
We report extensive measurements of quantum oscillations in the normal state of the Fe-based superconductor LaFePO, (Tc ~ 6 K) using low temperature torque magnetometry and transport in high static magnetic fields (45 T). We find that the…
RbFe2As2 has recently been reported to be a bulk superconductor with Tc = 2.6 K in the undoped state, in contrast to undoped BaFe2As2 with a magnetic ground state. We present here the results of the first-principles calculations of the…
We use core level and valence band soft x-ray photoemission spectroscopy (SXPES) to investigate electronic structure of new BiS$_{2}$ layered superconductor LaO$_{1-x}$F$_{x}$BiS$_{2}$. Core level spectra of doped samples show a new…
The compounds Ca(Fe1-xNix)2As2 with the tetragonal ThCr2Si2-type structure (space group I4/mmm) show a continuous transition of the interlayer As-As distances from a non-bonding state in CaFe2As2 (dAs-As = 313 pm) to single-bonded…