Related papers: Tight binding model for iron pnictides
Harrison's tight-binding theory provides an excellent qualitative description of the electronic structure of the elements across the periodic table. However, the resulting band structures are in significant disagreement with those found by…
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…
We present a scenario for iron-pnictide superconductivity mediated by charge fluctuations that are strongly enhanced by Fe-As intersite electronic interactions. Deriving an eight-band extended Hubbard model including Fe 3$d$ and As 4$p$…
Band structure of inorganic lead halide perovskites is substantially different from the band structure of group IV, III-V and II-VI semiconductors. However, the standard empirical tight-binding model with sp3d5s* basis gives nearly perfect…
We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the $\pi$-orbitals of the sp$^2$-hybridized carbon atoms and reproduces the two highest valence bands. By…
The unconventional superconductivity in the newly discovered iron-based superconductors is intimately related to its multi-band/multi-orbital nature. Here we report the comprehensive orbital characters of the low-energy three-dimensional…
We show that the complicated band reconstruction near Fermi surfaces in the magnetically ordered state of iron-pnictides observed by angle-resolved photoemission spectroscopies (ARPES) can be understood in a meanfield level if the…
In the framework of the tight binding approximation, we study a non-interacting model on the three-component dice lattice with real nearest-neighbor and complex next-nearest-neighbor hopping subjected to $\Lambda$- or V-type sublattice…
Iron-chalcogenide superconductors display rich phenomena caused by orbital-dependent band shifts and electronic correlations. Additionally, they are potential candidates for topological superconductivity due to the band inversion between…
Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…
We report an angle-resolved photoemission spectroscopy (ARPES) study on IrTe2 which exhibits an interesting lattice distortion below 270 K and becomes triangular lattice superconductors by suppressing the distortion via chemical…
We present an angle-resolved photoemission spectroscopy study of the electronic structure of SnTe, and compare the experimental results to ab initio band structure calculations as well as a simplified tight-binding model of the p-bands. Our…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…
In the multiband systems, Hund's coupling ($J$) plays a significant role in the spin and charge excitations. We study the dependence of electronic anisotropy on $J$ in terms of Drude-weight along different directions as well as the orbital…
We report on the occurrence of knotted metallic band structures as stable topological phases in non-Hermitian (NH) systems. These knotted NH metals are characterized by open Fermi surfaces, known in mathematics as Seifert surfaces, that are…
The three band structure of the extended Emery model for the copper-oxide layered materials is analyzed for all the values of the effective tight-binding parameters. The model is characterized by the Cu-O site energy splitting, the Cu-O…
Following the discovery of the Fe-pnictide superconductors, LDA band structure calculations showed that the dominant contributions to the spectral weight near the Fermi energy came from the Fe 3d orbitals. The Fermi surface is characterized…
We examine electronic states of antiferromagnetic phase in iron pnictides by mean-field calculations of the optical conductivity. We find that a five-band model exhibiting a small magnetic moment, inconsistent with the first-principles…
A magneto-orbital coupling mechanism is proposed to account for the weak energy gap at the Fermi energy in the $(\pi,0)$ ordered SDW state of a realistic three band model for iron pnictides involving $d_{xz}$, $d_{yz}$, and $d_{xy}$ Fe…
The magnetic phase diagrams of models for quasi one-dimensional compounds belonging to the iron-based superconductors family are presented. The five-orbital Hubbard model and the real-space Hartree-Fock approximation are employed,…