Related papers: Prediction of the atomistic Hubbard U interaction …
The predictive accuracy of popular extensions to density-functional theory (DFT) such as DFT+U and DFT plus dynamical mean-field theory (DFT+DMFT) hinges on using realistic values for the screened Coulomb interaction U. Here, we present a…
We carry out a sign-problem-free quantum Monte Carlo calculation of a bilayer model with a repulsive intra-layer Hubbard interaction and a ferromagnetic inter-layer interaction. The latter breaks the global $SU(2)$ spin rotational symmetry…
We formulate the Hubbard model for the simple cubic lattice in the representation of interacting dimers applying the exact solution of the dimer problem. By eliminating from the considerations unoccupied dimer energy levels in the large U…
We report on the experimental realization of a photonic system that simulates the one-dimensional two-particle Hubbard model. This analogy is realized by means of two-dimensional arrays of coupled optical waveguides, fabricated using…
We provide solid evidence for the long-standing presumption that model Hamiltonians with short-range interactions faithfully reproduce the physics of the long-range Coulomb interaction in real materials. For this aim, we address a generic…
We report on an effective Hubbard Hamiltonian approach for the study of electronic correlations in C$_{20}$ isomers, cage, bowl and ring, with quantum Monte Carlo and exact diagonalization methods. The tight-binding hopping parameter, $t$,…
Scanning Tunneling Microscopy (STM) is a powerful technique that utilizes quantum tunneling to visualize atomic surfaces with high precision. This study presents detailed topographic maps and evaluates the local density of states (LDOS) for…
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the GW…
We present a numerical study on ground state properties of a one-dimensional (1D) general Hubbard model (GHM) with particle-assisted tunnelling rates and repulsive on-site interaction (positive-U), which describes fermionic atoms in an…
Moir\'e related physics in twisted bilayer two-dimensional (2D) materials has attracted widespread interest in condensed matter physics. Simulation of moir\'e related physics in cold atom platform is expected to outperform the 2D materials…
Electronic correlations together with dimensional constraints lead to some of the most fascinating properties known in condensed matter physics. As possible candidates where these conditions are realized, semiconductor (111) surfaces and…
In the limit of low adatom concentration, we obtain exact analytic expressions for the local and total density of states (LDOS, TDOS) for a tight-binding model of adatoms on graphene. The model is not limited to nearest-neighbor hopping but…
We introduce a one-dimensional (1D) spatially inhomogeneous Bose-Hubbard model (BHM) with the strength of the onsite repulsive interactions growing, with the discrete coordinate $z_{j}$, as $|z_{j}|^{\alpha }$ with $\alpha >0$. Recently,…
The fermionic Hubbard model plays a fundamental role in the description of strongly correlated materials. Here we report on the realization of this Hamiltonian using a repulsively interacting spin mixture of ultracold $^{40}$K atoms in a 3D…
Strongly correlated metals often display anomalous transport, including $T$-linear resistivity above the Mott-Ioffe-Regel limit. We introduce a tractable microscopic model for such bad metals, by supplementing the well-known Hubbard model…
We calculate the effective Coulomb repulsion between electrons/holes, U, and site energy for an isolated BEDT-TTF [bis(ethylenedithio)tetrathiafulvalene] molecule in vacuo. U=4.2 \pm 0.1 eV for 44 experimental geometries taken from a broad…
Using quantum field theory and bosonization, we determine the quantum phase diagram of the one-dimensional Hubbard model with bond-charge interaction $X$ in addition to the usual Coulomb repulsion $U$ at half-filling, for small values of…
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moir\'e materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these…
The Hofstadter-Hubbard model captures the physics of strongly correlated electrons in an applied magnetic field, which is relevant to many recent experiments on Moir\'e materials. Few large-scale, numerically exact simulations exists for…
Fermionic atoms in optical lattices have served as a compelling model system to study and emulate the physics of strongly-correlated matter. Driven by the advances of high-resolution microscopy, the recent focus of research has been on…