Related papers: Electronic structure and minimal models for flat a…
Electronic flat bands in momentum space, arising from strong localization of electrons in real space, are an ideal stage to realize strong correlation phenomena. In certain lattices with built-in geometrical frustration, electronic…
We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…
The crystallographic stacking order in multilayer graphene plays an important role in determining its electronic properties. It has been predicted that a rhombohedral (ABC) stacking displays a conducting surface state with flat electronic…
The interplay between non-trivial topology and strong electron interaction can generate a variety of exotic quantum matter. Here we theoretically propose that monolayer transition metal trihalides MoF$_3$ and W$X_3$ ($X$= Cl, Br, I) have…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
Hole-doped high-temperature cuprate superconductors below optimum doping have small electron-like Fermi surfaces occupying a small fraction of the Brillouin zone. There is strong evidence that this is linked to charge density wave (CDW)…
The recent discovery of superconductivity and magnetism in trilayer rhombohedral graphene (RG) establishes an ideal, untwisted platform to study strong correlation electronic phenomena. However, the correlated effects in multilayer RG have…
We predict the van der Waals monolayer ReAg$_2$Cl$_6$ hosts isolated flat Chern bands at the Fermi level in its $120^\circ$ antiferromagnetic ground state. Their flatness and nontrivial topology arise from the cooperative effect of coplanar…
In this paper, electrical and electronic properties of strained mono-layer InTe for two structures, $\alpha$, and $\beta$ phases, is investigated. The band structure is obtained using density functional theory (DFT). The minimum energy and…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Two-dimensional systems with flat bands support correlated phases such as superconductivity and charge fractionalization. While twisted moire systems like twisted bilayer graphene have revealed such states, they remain complex to control.…
Flat bands, when located close to the Fermi energy, can considerably enhance the influence of electron correlations on the low energy physics in kagome and other frustrated-lattice metals. A major challenge in describing the interaction…
A major remaining challenge in the superconducting cuprates is the unambiguous differentiation of the composition and electronic structure of the CuO$_2$ layers and those of the intermediate layers. The large c axis for these materials…
The electronic states of isostructural single-component molecular conductors [M(tmdt)2] (M= Ni, Au, and Cu) are theoretically studied. By considering fragments of molecular orbitals as basis functions, we construct a multiorbital model…
We study correlation effects in a three-band extended Hubbard model of Cu -- O planes within the 1/N mean field approach, in the infinite U limit. We investigate the emerging phase diagram and discuss the low energy scales associated with…
By means of first-principles calculations we study the structural and electronic properties of a superlattice made of Sr2RuO4 and Sr3Ru2O7 ruthenate oxides. Due to the symmetry mismatch of the two systems a significant structural…
A simple analytical formula for three-dimensional Fermi surface (3D FS) of ${\rm Tl_{2}Ba_{2}CuO_{6+\delta}}$ is derived in the framework of LCAO approximation spanned over Cu~4s, Cu~3d$_{x^2-y^2}$, O~2p$_x$ and O~2p$_y$ states. This…
Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables…
Electronic flat bands can lead to rich many-body quantum phases by quenching the electron's kinetic energy and enhancing many-body correlation. The reduced bandwidth can be realized by either destructive quantum interference in frustrated…
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…