Related papers: Orbital-selective correlations and renormalized el…
The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
We propose orbital fluctuations in a multi-band ground state as the superconducting pairing mechanism in the new iron-based materials. We develop a general SU(4) theoretical framework for studying a two-orbital model and discuss a number of…
Multiband superconductors have featured one of the main challenges to achieve a comprehensive understanding of unconventional superconductivity. Here, the multiband character is studied separately as orbital and sublattice degrees of…
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…
Fermi-surface deformations in strongly correlated metals, in comparison to results from band-structure calculations, are investigated. We show that correlation-induced interband charge transfers in multi-orbital systems may give rise to…
We present a first-principles investigation of the electronic structure of the inversion-symmetry-broken spin-orbit-coupled metal candidate PbRe$_2$O$_6$. Our calculations reveal that the Fermi surfaces derived from the $d_{yz}$ and…
Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe $3d$-orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective…
Electronic correlation is of fundamental importance to high temperature superconductivity. Iron-based superconductors are believed to possess moderate correlation strength, which combined with their multi-orbital nature makes them a…
Electronic structures of three superconducting rare-earth iron silicides (Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonal crystal structure (P4/mnc), have been calculated employing the full-potential local-orbital…
A U(1) slave-spin representation is introduced for multi-orbital Hubbard models. As with the $Z_2$ form of L. de'Medici et al. (Phys. Rev. B 72, 205124 (2005)), this approach represents a physical electron operator as the product of a slave…
We consider a strongly spin-orbit-coupled metal, one of whose Fermi surfaces is close to a Lifshitz (topological) transition. Via a renormalization group analysis of the square-lattice Hubbard model with strong Rashba spin-orbit coupling,…
We have performed an angle-resolved photoemission study of the hole-overdoped iron pnictide superconductor KFe2As2, which shows a low Tc of ~4 K. Most of the observed Fermi surfaces show nearly two-dimensional shapes, while a band near the…
This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-Tc superconductors (Tc=36K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems.…
Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise…
We investigate the influence of general forms of disorder on the robustness of superconductivity in multiband materials. Specifically, we consider a general two-band system where the bands arise from an orbital degree of freedom of the…
The combination of the local-density approximation (LDA) with the rotationally invariant slave-boson theory (RISB) is used to investigate the realistic correlated electronic structure of Sr$_3$Ru$_2$O$_7$. From Wannier-downfolding the…
Composite quantum compounds offer a fertile ground for uncovering the complex interrelations between seemingly distinct phenomena in condensed matter physics for advanced nonvolatile and spintronics applications. Beyond topological…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently…
A detailed Linear Combination of Atomic Orbitals (LCAO) tight-binding model is developed for the layered High-Temperature Superconductor cuprates. The band structure of these materials is described using a sigma-band Hamiltonian employing…