Related papers: Electronic Structure of KFe$_2$Se$_2$ from First P…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
We have studied the low-lying electronic structure of a new ThCr$_2$Si$_2$-type superconductor KNi$_2$Se$_2$ with angle-resolved photoemission spectroscopy. Three bands intersect the Fermi level, forming complicated Fermi surface topology,…
The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic…
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…
Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…
The magnetic properties in the parent compounds are often intimately related to the microscopic mechanism of superconductivity. Here we report the first direct measurements on the electronic structure of a parent compound of the newly…
We investigate electronic structure of the new iron chalcogenide high temperature superconductor K{1-x}Fe{2-y}Se2 (hole doped case with x=0.24, y=0.28) in the normal phase using the novel LDA'+DMFT computational approach. We show that this…
The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for several decades; its low-temperature state is reported experimentally either as ferromagnetic or antiferromagnetic by different authors, with a measured ordering…
We report an infrared spectroscopy study on K$_{0.83}$Fe$_{1.53}$Se$_2$, a semiconducting parent compound of the new iron-selenide system. The major spectral features are found to be distinctly different from all other Fe-based…
Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO$_3$/SrTiO$_3$. Heterostructuring causes SrIrO$_3$ to become Sr$_2$IrO$_4$-like, and the system has the…
Fe-based superconductors have drawn much attention during the last decade due to the finding of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity & magnetism. Extensive study of the…
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,…
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 report calculations of the electronic structure and magnetic properties of YFe$_2$Ge$_2$ and discuss the results in terms of the observed superconductivity near magnetism. We find that YFe$_2$Ge$_2$ is a material near a magnetic quantum…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
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…
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 revisit the electronic structure of BaFe$_2$As$_2$, the archetypal parent compound of the Fe-based superconductors, using angle-resolved photoemission spectroscopy (ARPES). Our high-resolution measurements of samples detwinned by the…
With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe$_{1.23}$Te$_3$, which is a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is…
We studied the pairing instabilities in K$_x$Fe$_{2-y}$Se$_2$ using a two stage functional renormalization group (FRG) method. Our results suggest the leading and subleading pairing symmetries are nodeless $d_{x^2-y^2}$ and nodal extended…