Related papers: Electronic and magnetic properties of FeSe$_{0.5}$…
Monolayer FeSe thin film grown on SrTiO_{3}(001) (STO) shows the sign of T_{c}> 77 K, which is higher than the T_{c}-record of 56 K for the bulk FeAs-based superconductors. However, little is known about the magnetic ground state of FeSe,…
The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…
Based on first principle calculations we have investigated the evolution of magnetism in free-standing monolayer FeSe with respect to lattice constant and magnetism in bulk FeSe. The computational results show that the magnetic order in…
FeSe$_{1-x}$Te$_{x}$ superconductors manifest some intriguing electronic properties depending on the value of $x$. In FeSe single crystal, the nematic phase and Dirac band structure have been observed, while topological surface…
Despite of the importance of magnetism in possible relation to other key properties in iron-based superconductors, its understanding is still far from complete especially for FeSe systems. On one hand, the origin of the absence of magnetic…
By means of the first-principles calculations and magnetic topological quantum chemistry, we demonstrate that the low energy physics in the checkerboard antiferromagnetic (AFM) monolayer FeSe, very close to an AFM topological insulator that…
We investigate the electronic structures of FeSe in the presence of different possible orders. We find that only ferro-orbital order (FO) and collinear antiferro-magnetism (C-AFM) can simultaneously induce splittings at $\Gamma$ and M.…
The electronic structure of recently discovered $\beta$-Fe$_4$Se$_5$ with $\sqrt{5} \times \sqrt{5}$ ordered Fe vacancies is calculated using first-principles density functional theory. We find that the ground state is an antiferromagnetic…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
We review a variety of theoretical and experimental results concerning electronic band structure of superconducting materials based on FeSe monolayers. Three type of systems are analyzed: intercalated FeSe systems A_xFe_2Se_{2-x}S_x and…
Ordered electronic states have been extensively explored in cuprates and iron-based unconventional superconductors, but seldom observed in the epitaxial FeSe/SrTiO3(001) monolayer (FeSe/STO) with an enhanced superconducting transition…
Resolving the interplay between magnetic interactions and structural properties in strongly correlated materials through a quantitatively accurate approach has been a major challenge in condensed matter physics. Here we apply highly…
The electronic structure of FeSe, the simplest iron based superconductor (Fe-SC), conceals a potential of dramatic increase of Tc that realizes under pressure or in a single layer film. This is also the system where nematicity, the…
Electronic structure and magnetic properties for iron deficient TlFe$_{2-x}$Se$_2$ compounds are studied by first-principles calculations. We find that for the case of $x=0.5$ with a Fe-vacancy ordered orthorhombic superstructure, the…
Angle resolved photoemission spectroscopy (ARPES) reveals the features of the electronic structure of quasi-two-dimensional crystals, which are crucial for the formation of spin and charge ordering and determine the mechanisms of…
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…
The symmetry requirement and the origin of magnetic orders coexisting with superconductivity have been strongly debated issues of iron-based superconductors (FeSCs). Observation of C$_4$-symmetric antiferromagnetism in violation of the…
The coexistence and competition between superconductivity and electronic orders, such as spin or charge density waves, have been a central issue in high transition-temperature (${T_{\rm c}}$) superconductors. Unlike other iron-based…
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…
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…