Related papers: Effective tight-binding model for the iron vacancy…
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix…
The rich novel materials class of iron based superconductors turned out to exhibit a very complex electronic structure, despite of the simplicity of their crystal structures. For various approaches to study the instability against magnetic…
Although iron-based superconductors are multi-orbital systems with complicated band structures, we demonstrate that the low energy physics which is responsible for high-$T_c$ superconductivity is essentially governed by one effective…
This review discusses and compares electronic spectra of new iron-based high-temperature superconductors (HTSC), as well as a number of chemically similar compounds. Particular attention is payed to iron chalcogenide K_{1-x}Fe_{2-y}Se_2,…
We calculate RPA-BCS based spin resonance spectra of newly discovered iron-selenide superconductor using two orbitals tight-binding (TB) model. The slightly squarish electron pocket Fermi surfaces (FSs) at $(\pi,0)/(0,\pi)-$momenta produce…
By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFe$_{1.5}$Se$_2$ is a quasi-two-dimensional collinear antiferromagnetic semiconductor with an energy gap of 94 meV, in…
We propose an effective single-band model for the newly discovered iron selenide superconductors A$_x$Fe$_{2-y}$Se$_2$ (A=Tl,K,Rb,Cs). Based on this minimum model and the random phase approximation, the $d_{x^2-y^2}$ pairing symmetry is…
Multiorbital models are important to both the correlation physics and topological behavior of quantum materials. LiFeAs is a prototype iron pnictide suitable for indepth investigation of this issue. Its electronic structure is strikingly…
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…
$A$Co$_2$Se$_2$ ($A$=K,Rb,Cs) is a homologue of the iron-based superconductor, $A$Fe$_2$Se$_2$. From a comprehensive study of RbCo$_2$Se$_2$ via measurements of magnetization, transport, neutron diffraction, angle-resolved photoemission…
Recent inelastic neutron scattering studies by Pan et al., Nature Communications 8, 123 (2017), find evidence for spin excitations at energies above the quasi-particle gap in an iron-selenide high-Tc superconductor. The momenta of the spin…
We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the…
This work is an analytic theoretical study of a 2D semiconductor with a Fermi surface that is split by the Zeeman coupling of electron spins to an external magnetic field in the presence of electron-electron interactions. For the first…
We demonstrate that strong inter-orbital interaction is very efficient to achieve superconductivity due to magnetic fluctuations in the iron pnictides. Fermi surface states that are coupled by the antiferromagnetic wave vector are often of…
We describe a self consistent magnetic tight-binding theory based in an expansion of the Hohenberg-Kohn density functional to second order, about a non spin polarised reference density. We show how a first order expansion about a density…
Normal state spin dynamics of the recently discovered iron-pnictide superconductors is discussed by calculating spin structure factor S(q, omega) in an itinerant five-band model within RPA approximation. Due to the characteristic Fermi…
A detailed tight-binding analysis of the electron band structure of the CuO_2 plane of layered cuprates is performed within a sigma-band Hamiltonian including four orbitals - Cu3d_x^2-y^2, Cu4s, O2p_x, and O2p_y. Both the experimental and…
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…
We briefly review the recently constructed two orbital microscopic model for iron-based superconductors based on $S_4$ symmetry (PRX 2 021009(2012)). With this faithful representation of the kinematics of the tri-layer FeAs or FeSe…
We study the relation between the spin fluctuation and superconductivity in an heavily hole doped end material KFe$_2$As$_2$. We construct a five orbital model by approximately unfolding the Brillouin zone of the three dimensional ten…