相关论文: Magnetic states of iron-based two-leg ladder tellu…
Since the discovery of pressure-induced superconductivity in the two-leg ladder system BaFe$_2X_3$ ($X$=S, Se), with the 3$d$ iron electronic density $n = 6$, the quasi-one-dimensional iron-based ladders have attracted considerable…
The recent discovery of superconductivity under high pressure in the two-leg ladder compound BaFe$_2$S$_3$ [H. Takahashi et al., Nature Materials 14, 1008 (2015)] opens a broad avenue of research, because it represents the first report of…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
Recent neutron scattering experiments addressing the magnetic state of the two-leg ladder selenide compound BaFe$_2$Se$_3$ have unveiled a dominant spin arrangement involving ferromagnetically ordered 2$\times$2 iron-superblocks, that are…
The discovery of superconductivity in the two-leg ladder compound BaFe$_2$S$_3$ has established the 123-type iron chalcogenides as a novel and interesting subgroup of the iron-based superconductors family. However, in this 123 series,…
The pressure effects on the antiferromagentic orders in iron-based ladder compounds CsFe$_2$Se$_3$ and BaFe$_2$S$_3$ have been studied using neutron diffraction. With identical crystal structure and similar magnetic structures, the two…
The recent discovery of superconductivity in BaFe$_2$S$_3$ [Takahashi {\it et al.}, Nat. Mater. {\bf 14}, 1008 (2015)] has stimulated considerable interest in 123-type iron chalcogenides. This material is the first reported iron-based…
The iron-based superconductors had a significant impact on condensed matter physics. They have a common structural motif of a two-dimensional square iron lattice and exhibit fruitful physical properties as a strongly correlated electron…
The majority of the iron-based superconductors (FeSCs) exhibit a two-dimensional square lattice structure. Recent reports of pressure-induced superconductivity in the spin-ladder system, BaFe$_2$X$_3$ (X =S,Se), introduce a…
The quasi-one-dimensional spin ladder compounds, BaFe$_2$S$_3$ and BaFe$_2$Se$_3$, are investigated by infrared spectroscopy and density functional theory (DFT) calculations. We observe strong anisotropic electronic properties and an…
The iron-selenides are important because of their superconducting properties. Here, an unexpected phenomenon is predicted to occur in an iron-selenide compound with a quasi-one-dimensional ladder geometry: BaFe$_2$Se$_3$ should be a…
We report long-range ordered antiferromagnetism concomitant with local iron displacements in the spin-ladder compound BaFe$_2$Se$_3$. Short-range magnetic correlations, present at room temperature, develop into long-range antiferromagnetic…
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…
All the iron-based superconductors identified to date share a square lattice composed of Fe atoms as a common feature, despite having different crystal structures. In copper-based materials, the superconducting phase emerges not only in…
Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around…
Inspired by the synthesis of the high-pressure Fm-3m LaH10 superconducting superhydride, systematic density functional theory (DFT) calculations are performed to study ternaries that could be derived from it by replacing two of the hydrogen…
We report a comprehensive study of the spin ladder compound BaFe$_2$S$_{2.5}$Se$_{0.5}$ using neutron diffraction, inelastic neutron scattering, high pressure synchrotron diffraction, and high pressure transport techniques. We find that…
We investigated the iron-based ladder compounds (Ba,Cs)Fe$_2$Se$_3$. Their parent compounds, BaFe$_2$Se$_3$ and CsFe$_2$Se$_3$, have different space groups, formal valences of Fe and magnetic structures. Electrical resistivity, specific…
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…
Superconductivity and ferromagnetism are generally competing ground states in $d$-electron systems, making their interplay of fundamental interest. We report a comprehensive study of high-quality single- and polycrystalline V$_2$Ga$_5$, a…