Related papers: Microscopic model for transitions from Mott to spi…
The metal--insulator transition (MIT) for the square, simple cubic, and body-centered cubic lattices is investigated within the $t-t'$ Hubbard model at half-filling by using both the Hartree-Fock approximation (HFA) generalized for the case…
The physics of the triangular lattice Hubbard model exhibits a rich phenomenology, ranging from a metal-insulator transition, intriguing thermodynamic behavior, and a putative spin liquid phase at intermediate coupling, ultimately becoming…
We investigate the spin and orbital correlations of a superexchange model with spin $S=1$ and orbital $L=1$ relevant for $5d^4$ transition metal Mott insulators, using exact diagonalization and density matrix renormalization group (DMRG).…
We study the effects of electronic correlations on fragile topology using dynamical mean-field theory. Fragile topological insulators (FTIs) offer obstruction to the formation of exponentially localized Wannier functions, but they can be…
The structural, vibrational, electronic, and magnetic properties of inverse spinel $Co_2TiO_4$ (CTO-Sp) under high-pressure (HP) conditions are systematically investigated using X-ray diffraction, Raman spectroscopy, in situ optical…
The Gutzwiller wave function for a strongly correlated model can, if supplemented with a long-range Jastrow factor, provide a proper variational description of Mott insulators, so far unavailable. We demonstrate this concept in the…
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…
We consider a mixture of ultracold bosonic atoms on a one-dimensional lattice described by the XXZ-Bose-Hubbard model, where the tunneling of one species depends on the spin state of a second deeply trapped species. We show how the…
Synchrotron X-ray diffraction experiment shows that the metal-insulator transition occurring in a ferromagnetic state of a hollandite K$_2$Cr$_8$O$_{16}$ is accompanied by a structural distortion from the tetragonal $I4/m$ to monoclinic…
We investigate the ground-state phase diagram of the one-dimensional "ionic" Hubbard model with an alternating periodic potential at half-filling by numerical diagonalization of finite systems with the Lanczos and density matrix…
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…
Ab initio investigations of structural, electronic, and dynamical properties of the high-temperature $\beta$ phase of copper pyrophosphate were performed using density functional theory. The electronic band structure shows the Mott…
In this work, we investigate impurity-induced Friedel oscillations in the doped two-dimensional Hubbard model, focusing on the role of holon and doublon excitations. We show that weak impurities, due to the non-fermionic nature of the…
We apply the finite-temperature variational cluster approach to a strongly correlated and spin-orbit coupled model for four electrons (i.e. two holes) in the $t_{2g}$ subshell. We focus on parameters suitable for antiferromagnetic Mott…
Motivated by the experimental realization of synthetic spin-orbit coupling for ultracold atoms, we investigate the phase diagram of the Bose Hubbard model in a non-abelian gauge field in two dimensions. Using a strong coupling expansion in…
The experimentally observed, ambipolar field-effect characteristics of Mott insulators are reproduced in the one-dimensional Hubbard model attached to a tight-binding model for source and drain electrodes. The formation of Schottky…
We introduce a novel extension of the Gutzwiller variational wavefunction able to deal with insulators that escape any mean-field like description, as for instance non-magnetic insulators. As an application, we study the Mott transition…
The spinel-structure CuIr$_{2}$S$_{4}$ compound displays a rather unusual orbitally-driven three-dimensional Peierls-like insulator-metal transition. The low-T symmetry-broken insulating state is especially interesting due to the existence…
The topological superconducting state is a highly sought-after quantum state hosting topological order and Majorana excitations. In this work, we explore the mechanism to realize the topological superconductivity (TSC) in the doped Mott…
We have investigated the bulk and surface electronic structures and band topology of TlBiS$_2$ as a function of strain and electric field using \textit{ab-initio} calculations. In its pristine form, TlBiS$_2$ is a normal insulator, which…