Related papers: Ab initio Derivation of Low-Energy Model for $\kap…
Using maximally localized Wannier functions obtained from DFT calculations, we derive an effective Hubbard Hamiltonian for a bilayer of Sr$_3$Cr$_2$O$_7$, the $n=2$ member of the Ruddlesden-Popper Sr$_{n+1}$Cr$_n$O$_{3n+1}$ system. The…
We derive an effective spin Hamiltonian for the one-dimensional half-filled tetramerized ionic-Hubbard model in the limit of strong on-site repulsion. We show that the effective Hamiltonian which describes the low-energy spin sector of the…
Strong correlation effects, such as a dramatic increase in the effective mass of the carriers of electricity, recently observed in the low density electron gas have provided spectacular support for the existence of a sharp metal-insulator…
We derive an effective Hamiltonian $H_{eff}$ for an ionic Hubbard chain, valid for $t\ll U,\Delta $, where $t$ is the hopping, $U$ the Coulomb repulsion, and $\Delta$ the charge transfer energy. $H_{eff}$ is the minimal model for describing…
We study theoretically competition between the charge ordering and the superconductivity in two-dimensional organic conductor beta-(meso-DMBEDT-TTF)_2PF_6. We analyze the extended Hubbard model on a weakly-dimerized lattice based on the…
A full three-band model for the CuO$_{2}$ plane with inclusion of all essential interactions - Cu-O and O-O hopping, repulsion at the copper and oxygen and between them - is considered. A general procedure of the low-energy reduction of the…
A $t_{2g}^5$ system with a honeycomb lattice structure such as Na$_2$IrO$_3$ was firstly proposed as a topological insulator even though Na$_2$IrO$_3$ and its isostructural materials in nature have been turned out to be a Mott insulator…
Identifying materials hosting an excitonic insulator ground state has been one of the major pursuits in condensed matter physics in recent years. Promising candidates in transition metal chalcogenide compounds (TMC), including…
The polarized optical reflectance spectra of the quasi two dimensional organic correlated electron system $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]$Y$, $Y =$ Br and Cl are measured in the infrared region. The former shows the…
Starting from the kp method in combination with first-principles calculations, we systematically derive the effective Hamiltonians that capture the low energy band structures of recently discovered topological Kondo insulator SmB6. Using…
Inspired by recent discovery of correlated insulating states in twisted bilayer graphene (TBG), we study a two-orbital Hubbard model on the honeycomb lattice with two electrons per unit cell. Based on the real-space density matrix…
Moir\'e materials with flat electronic bands provide a highly controllable quantum system for studies of strong-correlation physics and topology. In particular, angle-aligned heterobilayers of semiconducting transition metal dichalcogenides…
For the Mott insulator state of the Fermi-Hubbard model in the strong-coupling limit, we study the interaction between quasi-particles in the form of doublons and holons. Comparing different methods -- the hierarchy of correlations,…
We present studies of an effective model which is a simple generalization of the standard model of a local pair superconductor with on-site pairing (i.e., the model of hard core bosons on a lattice) to the case of finite pair binding…
We consider transport through a one-dimensional conductor subject to an external periodic potential and connected to non-interacting leads (a "Mott quantum wire"). For the case of a strong periodic potential, the conductance is shown to…
Motivated from recent experiments in kappa-(BEDT-TTF)_2Cu_2(CN)_3, dielectric and magnetic properties in a dimer-Mott insulator are studied. We derive the effective Hamiltonian where the number of electron per dimer is taken to be one.…
We calculate the effective Coulomb interactions between holes in dimers of the organic molecule BEDT-TTF in vacuo. We use density functional theory (DFT) to parameterise Hubbard models for beta and kappa phase organic charge transfer salts.…
The magnetic susceptibility of the quarter-filled one-dimensional extended Hubbard model is calculated using the density-matrix renormalization group technique. It is found that in the charge gap regime of the model ($U> 4t $ and $V > 2t$),…
A heterostructure of a semi-infinite metal and a Mott insulator is considered. It is supposed that both materials have an identical lattice spacing and hopping integrals and differ in the Hubbard repulsion which is negligible in the metal…
The possibility of "orbitally selective Mott transitions" within a multiband Hubbard model, in which one orbital with large on-site electron-electron repulsion $U_1$ is insulating and another orbital, to which it is hybridized, with small…