Related papers: Elementary Building Blocks for Cluster Mott Insula…
We have investigated electronic structures and magnetic properties of O$_{2}$$M$F$_{6}$ ($M$=Sb, Pt), which are composed of two building blocks of strongly correlated electrons: O$_{2}^{+}$ dioxygenyls and $M$F$_{6}^{-}$ octahedra, by…
We present a framework to characterize Mott insulating phases within the interacting one-body picture, focusing on the Hubbard diamond chain featuring both Hubbard interactions and spin-orbit coupling simulated within cellular dynamical…
We perform a detailed study of the phase transitions and mechanisms of electron localization in the extended Hubbard model using the dynamical cluster approximation on a $2\times 2$ cluster. We explore the interplay of charge order and Mott…
We investigate magnetoresistance of a square array of superconducting islands placed on a normal metal, which offers a unique tunable laboratory for realizing and exploring quantum many-body systems and their dynamics. A vortex Mott…
We investigate atomic and electronic structures of monolayer 1T-TaSe2 using density functional theory calculations. Monolayers of 1T-TaSe2 were recently grown on graphene substrates and suggested as an intriguing Mott insulator [Nat. Phys.…
The interplay between strong electronic correlations and the inherent frustration of certain lattice geometries is a common mechanism for the formation of nontrivial states of matter. In this work, we theoretically explore the collective…
One can confine the two-dimensional electron gas in semiconductor heterostructures electrostatically or by etching techniques such that a small electron island is formed. These man-made ``artificial atoms'' provide the experimental…
Coulomb repulsion between electrons moving on a frustrated lattice can give rise, at simple commensurate electronic densities, to exotic insulating phases of matter. Such a phenomenon is illustrated using an extended t--J model on a planar…
Motivated by the recent developments on cluster Mott insulating materials such as the cluster magnet LiZn$_2$Mo$_3$O$_8$, we consider the strong plaquette charge ordered regime of the extended Hubbard model on a breathing Kagome lattice and…
Conventional theories for Mott insulators involve well-localized electronic orbitals. This picture fails in the presence of topological obstructions in Chern bands which prevent the formation of exponentially localized orbitals and are…
Surprising properties of doped Mott insulators are at the heart of many quantum materials, including transition metal oxides and organic materials. The key to unraveling complex phenomena observed in these systems lies in understanding the…
Mott insulator plays a central role in strongly correlated physics, where the repulsive Coulomb interaction dominates over the electron kinetic energy and leads to insulating states with one electron occupying each unit cell. Doped Mott…
Multi-band Mott insulators with moderate spin-orbit and Hund's coupling are key reference points for theoretical concept developments of correlated electron systems. The ruthenate Mott insulator Ca$_{2}$RuO$_{4}$ has therefore been…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…
Iron-based superconductors display a variety of magnetic phases originating in the competition between electronic, orbital, and spin degrees of freedom. Previous theoretical investigations of the multi-orbital Hubbard model in one dimension…
In this Book Chapter (invited) we briefly review the basic concepts defining topological insulators and focus on elaborating on the key experimental results that revealed and established their symmetry protected (SPT) topological nature. We…
When the electronic dispersion in a material is independent of momentum, it gives rise to strongly correlated flat bands, with the single particle energy, quenched. Though the notion of flat bands had been known since long, their…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
We prove that the Mott insulating state is characterized by a divergence of the electron self energy at well-defined values of momenta in the first Brillouin zone. When particle-hole symmetry is present, the divergence obtains at the…
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction are…