Related papers: Clusterization transition between cluster Mott ins…
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…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the…
We investigate the Mott transition in the Kagom\'e lattice Hubbard model using a cluster extension of dynamical mean field theory. The calculation of the double occupancy, the density of states, the static and dynamical spin correlation…
Motivated by recent experiment on the Na$_4$Ir$_3$O$_8$ compound we study the Hubbard model on the "hyper-kagome lattice", which forms a three-dimensional network of corner sharing triangles, using dynamical cluster approximation (DCA)…
Motivated by the recent atomic-scale scanning tunneling microscope (STM) observation for a spatially localized in-gap state in an electron doped Mott insulator, we evaluate the local electronic state of the Hubbard model on the square…
The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase…
The variational cluster approximation is used to study the isotropic triangular-lattice Hubbard model at half filling, taking into account the nearest-neighbor ($t_1$) and next-nearest-neighbor ($t_2$) hopping parameters for magnetic…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the…
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…
The Mott transition is observed experimentally in materials that are magnetically frustrated so that long-range order does not hide the Mott transition at finite temperature. The Hubbard model on the triangular lattice at half-filling is a…
Inspired by the recent discovery of breathing kagome materials \(\rm Nb_3Cl_8\) and \(\rm Nb_3TeCl_7\), we have explored the influence of the breathing effect on the Hubbard model of the kagome lattice. Utilizing the determinant quantum…
The checkerboard lattice, with alternating 'crossed' plaquettes, serves as the two dimensional analog of the pyrochlore lattice. The corner sharing plaquette structure leads to a hugely degenerate ground state, and no magnetic order, for…
We study the magnetic properties around the Mott transition in the Kagom\'e lattice Hubbard model by the cellular dynamical mean field theory combined with quantum Monte Carlo simulations. By investigating the q-dependence of the…
We study the half filled extended Hubbard model on a two-dimensional square lattice using cluster dynamical mean field theory on clusters of size 8-20. We show that the model exhibits metallic, Mott insulating, and charge ordered phases,…
Spin-liquid behavior was recently suggested experimentally in the moderately one-dimensional organic compound $\kappa$-H$_3$(Cat-EDT-TTF)$_2$. This compound can be modeled by the one-band Hubbard model on the anisotropic triangular lattice…
We present the first-ever multi-scale dynamical simulation of the temperature-controlled Mott metal-insulator transition in the Hubbard model. By integrating advanced electronic structure method and an efficient Gutzwiller/slave-boson…
We unveil the microscopic origin of largely debated magnetism in the Mo$_{3}$O$_{8}$ cluster systems. Upon considering an extended Hubbard model at 1/6 filling on the anisotropic kagom\'e lattice formed by the Mo atoms, we argue that its…
Motivated by the recent discovery of metallic kagome lattice materials, AV$_{3}$Sb$_{5}$ (A=K, Rb, Cs), we investigate the ground state of the half-filled kagome lattice Hubbard model by employing the density-matrix renormalization group…
We study the Mott transition from a metal to cluster Mott insulators in the 1/4- and 1/8-filled pyrochlore lattice systems. It is shown that such Mott transitions can arise due to charge localization in clusters or in tetrahedron units,…
We use determinant Quantum Monte Carlo simulations and exact diagonalization to explore insulating behavior in the Hubbard model with a bimodal distribution of randomly positioned local site energies. From the temperature dependence of the…