相关论文: Multiband magnetism and superconductivity in Fe-ba…
Possible superconductivity in recently discovered (Tl,K)Fe$_x$Se$_2$ compounds is studied from the viewpoint of doped Mott insulator. The Mott insulating phase is examined to be preferred in the parent compound at $x=1.5$ due to the…
FeSe is classed as a Hund's metal, with a multiplicity of $d$ bands near the Fermi level. Correlations in Hund's metals mostly originate from the exchange parameter \emph{J}, which can drive a strong orbital selectivity in the correlations.…
Ta$_4$Pd$_3$Te$_{16}$ is a recently discovered superconductor that has been suggested to be an unconventional superconductor near magnetism. We report electronic structure calculations showing that in spite of the layered crystal structure…
The particular shape of the Fermi surface can give rise to a number of collective quantum phenomena in solids, such as density wave orderings or even superconductivity. In many new iron superconductors this shape, the 'nested' Fermi…
The discovery of superconductivity in alkali-ammonia co-intercalated FeSe has generated intensive interest because of their highest Tc (~ 45 K) among iron-chalcogenide superconductors with bulk form. Here, we report the phase diagrams of…
We investigate the electronic and other properties of the hypothetical compound LiFeSb in relation to superconducting LiFeAs and FeSe using density functional calculations. The results show that LiFeSb in the LiFeAs structure would be…
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…
The enigma of unconventional superconductivity in doped cuprates presents a formidable challenge in the realm of condensed matter physics. Recent findings of strong near-neighbor attractions in one-dimensional cuprate chains suggest a new…
The electronic origin of the huge magnetostructural effect in layered Fe-As compounds is elucidated using LiFeAs as a prototype. The crucial feature of these materials is the strong covalent bonding between Fe and As, which tends to…
Using the numerical unrestricted Hartree-Fock approach, we study the ground state of a two-orbital model describing newly discovered FeAs-based superconductors. We observe the competition of a $(0, \pi)$ mode spin-density wave and the…
For a newly discovered iron-based high T_c superconducting parent material KFe2Se2, we present an effective three-dimensional five-orbital tight-binding model by fitting the band structures. The three t2g-symmetry orbitals of the five Fe 3d…
A new compound with a quasi-two-dimensional array of FeSe3O tetrahedra and an orthorombic structure, namely BaFe2Se2O, has been successfully fabricated. Experimental results show that this compound is an insulator and has an…
We unveil the novel physical origin of the insulating block checkerboard antiferromagnetism in vacancy-ordered K2Fe4Se5. Our first-principles electronic structure analysis reveals its incompatibility with a simple Fermi-surface nesting or…
One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested.…
Ultra-thin FeAs is of interest both as the active component in the newly identified pnictide superconductors, and in spintronic applications at the interface between ferromagnetic Fe and semiconducting GaAs. Here we use first-principles…
In high-superconducting transition temperature ($T_{\rm c}$) iron-based superconductors, interband sign reversal ($s_{\rm \pm}$) and sign preserving ($s_{\rm ++}$) $s$-wave superconducting states have been primarily discussed as the…
Topological insulators and semimetals as well as unconventional iron-based superconductors have attracted major recent attention in condensed matter physics. Previously, however, little overlap has been identified between these two vibrant…
We report the first photoemission study of Fe$_{1+x}$Te - the host compound of the newly discovered iron-chalcogenide superconductors (maximum T$_c$ $\sim$ 27K). Our results reveal a pair of nearly electron-hole compensated Fermi pockets,…
We propose that the contrasting low-temperature behaviors observed experimentally among isostructural and isoelectronic materials, like non-superconducting and nonmagnetic MgFeGe, magnetically ordered NaFeAs, and superconducting LiFeAs, can…
Magnetic spin fluctuations is one candidate to produce the bosonic modes that mediate the superconductivity in the ferrous superconductors. Up until now, all of the LaOFeAs and BaFe2As2 structure types have simple commensurate magnetic…