Related papers: Effective tight-binding model for the iron vacancy…
We have analyzed the magnetic interactions of a five orbital model for iron superconductors treated both within Hartree-Fock and Heisenberg approximations. We have found that the exchange constants depend non-trivially on the Fe-As-Fe angle…
With single crystal X-ray diffraction studies, we compare the structures of three sample showing optimal superconductivity, K0.774(4)Fe1.613(2)Se2, K0.738(6)Fe1.631(3)Se2 and Cs0.748(2)Fe1.626(1)Se2. All have an almost identical ordered…
Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the…
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,…
We find novel confined states in the spin-$S$ nearest-neighbor antiferromagnetic Heisenberg model on the two-dimensional Penrose lattice. Linear spin waves have massively degenerate eigenstates strictly confined to tricoordinated sites.…
By performing first-principles electronic structure calculations and analyzing effective magnetic model of alkali-doped iron selenides, we show that the materials without iron vacancies should approach a novel checkerboard phase in which…
Elucidating the nature of the magnetic ground state of iron-based superconductors is of paramount importance in unveiling the mechanism behind their high temperature superconductivity. Until recently, it was thought that superconductivity…
We study a twisted Hubbard tube modeling the [CrAs] structure of quasi-one-dimensional superconductors A2Cr3As3 (A = K, Rb, Cs). The molecular-orbital bands emerging from the quasi-degenerate atomic orbitals are exactly solved. An effective…
A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific heat data give evidence for quasi-1D…
The pressure dependence of the structural ($T_s$), antiferromagnetic ($T_m$), and superconducting ($T_c$) transition temperatures in FeSe is investigated on the basis of the 16-band $d$-$p$ model. At ambient pressure, a shallow hole pocket…
First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding…
We have performed Raman-scattering measurements on a high-quality single crystal of the recently discovered Fe-based superconductor K$_{0.8}$Fe$_{1.6}$Se$_2$ ($T_c$ = 32 K). At least thirteen phonon modes were observed in the wave number…
The recent observation of superconductivity in the vicinity of Fermi surface reconstructed insulating or metallic states has established twisted bilayers of WSe\textsubscript{2} as an exciting platform to study the interplay of strong…
We investigate the electronic properties of MXenes by three bands tight-binding model of \d_{z^2} , \d_{xy} , and \d_{x^2-y^2} orbitals. The three corresponding bands touch each other at high symmetry K point in the case of absence of…
The development of sensible microscopic models is essential to elucidate the normal-state and superconducting properties of the iron-based superconductors. Because these materials are mostly metallic, a good starting point is an effective…
Iron telluride (FeTe), a relative of the iron based high temperature superconductors, displays unusual magnetic order and structural transitions. Here we explore the idea that strong correlations may play an important role in these…
Towards understanding the multi-orbital quantum antiferromagnetism in iron pnictides, effective spin couplings and spin fluctuation induced quantum corrections to sublattice magnetization are obtained in the $(\pi,0)$ AF state of a…
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…
Using the ab initio FLAPW-GGA method we examine the electronic band structure, densities of states, and the Fermi surface topology for a very recently synthesized ThCr2Si2-type potassium intercalated iron selenide superconductor KxFe2Se2.…
Berg, Metlitski and Sachdev, Science 338, 1606 (2012), have shown that the exchange of hidden spin fluctuations by conduction electrons with two orbitals can result in high-temperature superconductivity in copper-oxide materials. We…