Related papers: A Three-Dimensional Tight-Binding Model and Magnet…
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…
Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band…
The evolution of the superconducting transition temperature ($T_c$) in FeSe was investigated under in-plane, out-of-plane, and hydrostatic compression. For pressures up to 0.6 GPa, $T_c$ increases regardless of the compression mode,…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
Band structure calculations for Ba_2Cu_3O_4Cl_2 within the local density approximation (LDA) are presented. The investigated compound is similar to the antiferromagnetic parent compounds of cuprate superconductors but contains additional…
The optical properties of KFe$_2$As$_2$ have been measured for light polarized in the a-b planes over a wide temperature and frequency range. Below $T^\ast\simeq 155$ K, where this material undergoes an incoherent-coherent crossover, we…
We perform electronic structure calculations for the recently synthesized iron-based superconductor LiFeO$_2$Fe$_2$Se$_2$. In contrast to other iron-based superconductors, this material comprises two different iron atoms in 3$d^5$ and…
We provide and analyze a periodic Anderson model for studying magnetism and superconductivity in UTe$_2$, a recently-discovered candidate for a topological spin-triplet superconductor. The 24-band tight-binding model reproduces the band…
We present the results of paramagnetic LDA band structure calculations: band dispersions, densities of states and Fermi surfaces, for the new iron based high-temperature superconductor LiOHFeSe. Main structural motif providing bands in the…
We report X-band EPR and $^{125}$Te and $^{77}$Se NMR measurements on single-crystalline superconducting FeSe$_{0.42}$Te$_{0.58}$ ($T_c$ = 11.5(1) K). The data provide evidence for the coexistence of intrinsic localized and itinerant…
The electronic states of the Fe2As2 plane in iron-based superconductors are investigated on the basis of the two-dimensional 16-band d-p model which includes the Coulomb interaction on a Fe site: the intra- and inter-orbital direct terms U…
The magnetic phase diagrams of models for quasi one-dimensional compounds belonging to the iron-based superconductors family are presented. The five-orbital Hubbard model and the real-space Hartree-Fock approximation are employed,…
The temperature, field, and field-orientation dependences of the electronic specific heat Ce of the ironpnictide superconductor KFe2As2 have been investigated. Thermodynamic evidence of the presence of line nodes is obtained from the T and…
Recently discovered A-Fe-Se (A - alkali metal) materials have questioned the most popular theories of iron-based superconductors because of their unusual electronic structure [1]. Controversial photoemission data taken in the…
We study the relation between the spin fluctuation and superconductivity in an heavily hole doped end material KFe$_2$As$_2$. We construct a five orbital model by approximately unfolding the Brillouin zone of the three dimensional ten…
Band structures of the pressure-induced, heavy-fermion superconductor Ce2Ni3Ge5 and its non-superconducting, mixed-valence isostructural (Ibam) counterpart Ce2Ni3Si5 have been calculated employing the full-potential local-orbital code. Both…
We use angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to study the electronic structure of CaFe$_2$As$_2$ in previously unexplored collapsed tetragonal (CT) phase. This unusual phase of…
We analyze superconductivity in a multi-orbital fermionic system near the onset of a nematic order, using doped FeSe as an example. We associate the nematic order with spontaneous polarization between $d_{xz}$ and $d_{yz}$ orbitals. We…
We have performed soft x-ray and ultrahigh-resolution laser-excited photoemission measurements on tetragonal FeSe, which was recently identified as a superconductor. Energy dependent study of valence band is compared to band structure…
FeSe is a unique high-$T_c$ iron-based superconductor in which nematicity, superconductivity, and magnetism are entangled with each other in the $P$-$T$ phase diagram. We performed $^{77}$Se-nuclear magnetic resonance measurements under…