Related papers: Band structure and electron-phonon coupling in H$_…
Band structure calculations for Ba_2Cu_3O_4Cl_2 within the local density approximation (LDA) are presented. The investigated compound is similar to the antiferromagnetic parent compounds of cuprate superconductors but contains additional…
While correlated phenomena of flat bands have been extensively studied in twisted systems, the ordered states that emerge from interactions in the intrinsic flat bands of kagome lattice materials remain largely unexplored. The newly…
Recent theoretical calculations and experimental results suggest that the strongly correlated material SmB$_{6}$ may be a realization of a topological Kondo insulator. We have performed an angle-resolved photoemission spectroscopy study on…
Due to the value of the isotope shift in sulfur hydrides, a phonon-mediated pairing scenario of superconductivity is generally accepted for these high-temperature superconductors which is consistent with the Bardeen-Cooper-Schrieffer (BCS)…
The low-energy electronic structure of the itinerant metamagnet Sr3Ru2O7 is investigated by angle resolved photoemission and density functional calculations. We find well-defined quasiparticle bands with resolution limited line widths and…
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 derive and discuss an experimentally realistic model describing ultracold atoms in an optical lattice including a commensurate, but staggered, Zeeman field. The resulting band structure is quite exotic; fermions in the third band have an…
In the Van der Waal material $\rm NiPS_3$, Ni atoms have spin S=1 and realize a honeycomb lattice. Six sulfur atoms surround each Ni and split their d manifold into three filled and two unfilled bands. Aimed to determine the spin…
We present a careful recasting of first-principles band structure calculations for MgB2 in a non-orthogonal sp-tight-binding (TB) basis. Our TB results almost exactly reproduce our full potential linearized augmented plane wave results for…
Electrons on Kagome lattice exhibit a wealth of features including Dirac points, van Hove singularities and flatbands. When the Fermi level is placed at the van Hove saddle point, the Fermi surface is perfectly nested and a rich variety of…
We investigate the superconductivity in Sr$_2$RuO$_4$ on the basis of the three-dimensional three-band Hubbard model. We propose a model with Coulomb interactions among the electrons on the nearest-neighbor Ru sites. In our model the…
First-principles electronic structure calculations have been very useful in understanding some of the properties of the new iron-based superconductors. Further explorations of the role of the individual atomic orbitals in explaining various…
The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates= materials remains heavily debated. Effective low energy single-band models of the copper-oxygen orbitals are widely used because there exists no…
For a newly discovered iron-based high T_c superconducting parent material KFe2Se2, we present an effective three-dimensional five-orbital tight-binding model by fitting the band structures. The three t2g-symmetry orbitals of the five Fe 3d…
The electronic band structure of monolayer phosphorene is thoroughly studied by considering the presence of spin-orbit interaction. We employ a multiorbital Slater-Koster tight-binding approach to derive effective k.p-type Hamiltonians that…
We analyze superconducting instabilities in 3D and 2D extended Hubbard model with Coulomb repulsion between electrons on neighboring sites in the limit of low electron density ($n_{el} \rightarrow 0$) on simple cubic (square) lattice. We…
From the analysis of the cyclotron resonance, we experimentally obtain the band structure of the three-dimensional topological insulator based on a HgTe thin film. Top gating was used to shift the Fermi level in the film, allowing us to…
Effects of the band structure on the symmetry of superconducting (SC) states are studied. For a square lattice system with a nearest-neighbor attractive interaction, SC states with various symmetries are found by changing the band…
We present a systematic derivation of a minimal five-band tight-binding model for the description of the electronic structure of the recently discovered quasi one-dimensional superconductor K2Cr3As3. Taking as a reference the…
In this thesis, I study a two-dimensional extended Hubbard model in the weak coupling limit. Quite generally, the electron gas is unstable towards a superconducting state even in the absence of phonons. However in the special case of a…