Related papers: SiC(0001): a surface Mott-Hubbard insulator
We show theoretically the fingerprints of short-range spiral magnetic correlations in the photoemission spectra of the Mott insulating ground states realized in the triangular silicon surfaces K/Si(111)-B and SiC(0001). The calculated…
We study the transition from paramagnetic metal to paramagnetic insulator by finite temperature Quantum Monte-Carlo simulations for the 2D Hubbard model at half-filling. Working at the moderately high temperature T=0.33*t where the spin…
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…
The electronic structure at the interface between a topological band insulator and a Mott insulator is studied within layer dynamical mean field theory. To represent the bulk phases of these systems, we use the generalized…
Motivated by recent experiments of a novel 5$d$ Mott insulator in Sr$_2$IrO$_4$, we have studied the two-dimensional three-orbital Hubbard model with a spin-orbit coupling $\lambda$. The variational Monte Carlo method is used to obtain the…
We demonstrate that a Mott insulator lightly doped with holes is still an insulator at low temperature even without disorder. Hole localization obtains because the chemical potential lies in a pseudogap which has a vanishing density of…
Motivated by the recent experimental evidence of commensurate surface charge density waves (CDW) in Pb/Ge(111) and Sn/Ge(111) sqrt{3}-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have…
The effect of on-site electron-electron repulsion $U$ in a band insulator is explored for a bilayer Hubbard Hamiltonian with opposite sign hopping in the two sheets. The ground state phase diagram is determined at half-filling in the plane…
The recent experimental claim of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) has ignited substantial research interest in both experimental and theoretical domains. Previous density functional…
We compute the correlated electronic structure of stacked $1T$-TaS$_2$ bilayers using the $GW$ + EDMFT method. Depending on the surface termination, the semi-infinite uncorrelated system is either band-insulating or exhibits a metallic…
We study the problem of designing an artificial Mott insulator in a correlated oxide heterostructure. We consider the extreme limit of quantum confinement based on ionic discontinuity doping, and argue that a unique dimer Mott insulator can…
We employ the dynamical mean field approximation to study the effects of ionic potential ($\Delta$) on the square lattice Hubbard model. At half-filling when the staggered potential ($\Delta$) dominates the on-site Hubbard interaction…
Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…
To examine the insulating mechanism of 5$d$ transition metal oxide Sr$_2$IrO$_4$, we study the ground state properties of a three-orbital Hubbard model with a large relativistic spin-orbit coupling on a square lattice. Using a variational…
We study the behavior of fermion liquid defined on hexagonal and triangular lattices with short-range repulsion at half filling. In strong coupling limit the Mott-Hubbard phase state is present, the main peculiarity of insulator state is a…
We study the effects of strong electron-electron interactions on the surface of cubic topological Kondo insulators (such as samarium hexaboride, SmB$_6$). Cubic topological Kondo insulators generally support three copies of massless Dirac…
Recently, the field of strongly correlated electrons has begun an intense search for a correlation induced topological insulating phase. An example is the quadratic band touching point which arises in a checkerboard lattice at half-filling,…
Ordinary band structure calculations of quantum materials often incorrectly predicted metallic, instead of insulating electronic structure, motivating Mott-Hubbard strong electron correlation as a gapping mechanism. More recently, allowing…
We study the phase diagram of a one-dimensional extended Hubbard model with antiferromagnetic exchange interaction analytically and numerically. The bosonization and transfer-matrix renormalization group methods are used in the…
We consider the orbitally degenerate 3-band Hubbard model with on-site interactions which favor low spin and low orbital angular momentum using standard second order perturbation theory in the large Hubbard-U limit. At even integer filling…