Related papers: Charge Singlets and Orbital-Selective Charge Densi…
Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard and t-J models including local Holstein and/or Peierls couplings to the lattice are…
The issue of whether $d$-wave superconductivity (SC) occurs in the square-lattice Hubbard model with $U$ of order of the bandwidth has been one of the most debated issues to emerge from the study of high temperature SC. Here, we report…
The phenomenon associated with inhomogeneous distribution of electron density is known as a charge ordering. In this work, we study the zero-bandwidth limit of the extended Hubbard model, which can be considered as a simple effective model…
Motivated by recent experiments on vanadium spinels, $A$V$_2$O$_4$, that show an increasing degree of electronic delocalization for smaller cation sizes, we study the evolution of orbital ordering (OO) between the strong and…
We review theoretical investigations on the origin of the orbital selective phase where localized and itinerant electrons coexist in the d shell at intermediate strength of the on-site Coulomb interactions between electrons. In particular,…
The Mott insulator provides an excellent foundation for exploring a wide range of strongly correlated physical phenomena, such as high-temperature superconductivity, quantum spin liquid, and colossal magnetoresistance. A Mott insulator with…
The Holstein model on a square lattice at half-filling has a well-established finite temperature phase transition to an insulating state with long range charge density wave (CDW) order. Because this CDW formation suppresses pairing, a…
We investigated the Cu/Ni-O$_2$ bilayer multi-orbital Hubbard model with Cu/Ni impurity approximation embedded in the O lattice by incorporating the 3d$^{8}$ multiplet structure coupled to a full O-2p band. For this simplified model of…
A charge density wave (CDW) of a nonzero ordering vector $\mathbf{q}$ couple electronic states at $\mathbf{k}$ and $\mathbf{k}+\mathbf{q}$ statically, giving rise to a reduced Brillouin zone (RBZ) due to the band folding effect. Its…
The combination of strong spin-orbit coupling and Coulomb interactions makes the $5d$ iridates a unique platform for realizing novel correlated electronic states. Here, utilizing infrared spectroscopy, we demonstrate that a robust Mott…
The ground state phase diagram of the half-filled one-dimensional Holstein-Hubbard model contains a charge-density-wave (CDW) phase, driven by the electron-phonon (e-ph) coupling, and a spin-density-wave (SDW) phase, driven by the on-site…
The orbital-selective electronic behavior is one of the most remarkable manifestations of strong electronic correlations in multi-orbital systems. A prominent example is the orbital-selective Mott transition (OSMT), which is characterized…
Motivated by the high temperature superconductivity observed in the bilayer nickelate La$_3$Ni$_2$O$_7$ and the spectroscopic evidences of strong electron correlations in this compound, we address the role of its multiorbital electron…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement…
Charge density wave (CDW) is a collective quantum phenomenon with a charge modulation in solids1-2. Condensation of electron and hole pairs with finite momentum will lead to such an ordered state3-7. However, lattice symmetry breaking…
The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…
Thinning crystalline materials to two dimensions (2D) creates a rich playground for electronic phases, including charge, spin, superconducting, and topological order. Bulk materials hosting charge density waves (CDWs), when reduced to…
Based on the analysis of a two-orbital Hubbard model within a mean-field approach, we propose a mechanism for an orbital selective phase transition (OSPT) where coexistence of localized and itinerant electrons can be realized. We show that…
Exploring supersolidity in naturally occurring and artificially designed systems has been and will continue to be an area of immense interest. Here, we study how superfluid and charge-density-wave (CDW) states cooperate or compete in a…
We study the conductivity, density of states, and magnetic correlations of a two dimensional, two band fermion Hubbard model using determinant Quantum Monte Carlo (DQMC) simulations. We show that an orbitally selective Mott transition…