Related papers: Prediction of the atomistic Hubbard U interaction …
The electronic transport properties of a point-contact system formed by a single Co atom adsorbed on Cu (100) and contacted by a copper tip is evaluated in the presence of intra-atomic Coulomb interactions and spin-orbit coupling. The…
Superconductivity has recently been observed in moir\'e transition-metal dichalcogenide bilayers. Here, we investigate the superconducting state in twisted WSe$_2$ using two complementary theoretical approaches. The first is based on the…
A computationally efficient workflow for obtaining the low-energy symmetric tight-binding Hamiltonians for twisted multilayer systems is presented in this work. We apply this scheme to twisted bilayer graphene at the first magic angle. As…
We use machine learning to enable large-scale molecular dynamics (MD) of a correlated electron model under the Gutzwiller approximation scheme. This model exhibits a Mott transition as a function of on-site Coulomb repulsion $U$. The…
One-dimensional (1D) electron systems in the presence of Coulomb interaction are described by Luttinger liquid theory. The strength of Coulomb interaction in the Luttinger liquid, as parameterized by the Luttinger parameter K, is in general…
The analysis of Fourier-transformed scanning-tunneling-microscopy (STM) images with subatomic resolution is a common tool for studying properties of quasiparticle excitations in strongly correlated materials. While Fourier amplitudes are…
We calculate the screened electron-electron interaction for the charge-disproportionated insulator CaFeO$_3$ using the constrained random-phase approximation (cRPA). While in many correlated materials, the formation of a Mott-insulating…
We introduce an approach to derive realistic Coulomb interaction terms in free standing layered materials and vertical heterostructures from ab-initio modelling of the corresponding bulk materials. To this end, we establish a combination of…
This work theoretically analyzes electronic ordering in AA-stacked bilayer graphene and the role of the Coulomb interaction in these many-body phenomena. Using the random phase approximation to account for screening, we find intra-layer…
Since the discovery of superconductivity and correlated insulator at fractional electron fillings in the twisted bilayer graphene, most theoretical efforts have been focused on describing this system in terms of an effective extended…
We study the non-degenerate one dimensional two-orbital Hubbard model with interorbital Coulomb interaction. By means of the density-matrix renormalization group technique, we calculate the local single-particle density of states and the…
Fermions in an optical lattice near a wide Feshbach resonance are expected to be described by an effective Hamiltonian of the general Hubbard model with particle-assisted tunneling rates resulting from the strong atomic interaction [Phys.…
Coulomb interaction, following an inverse-square force-law, quantifies the amount of force between two stationary and electrically charged particles. The long-range nature of Coulomb interactions poses a major challenge to molecular…
In this second of three articles on the optical absorption of electrons in a half-filled Peierls-distorted chain we present exact results for strongly correlated tight-binding electrons. In the limit of a strong on-site interaction $U$ we…
Using a Scanning Tunneling Microscope (STM), we investigate the Local Density of States (LDOS) of artificially fabricated normal metal nano-structures in contact with a superconductor. Very low temperature local spectroscopic measurements…
Strongly correlated phases in twisted bilayer graphene (TBG) typically arise as transitions from a state in which the system behaves as a normal metal. In such metallic regime, electron-electron interactions usually only play a subleading…
We introduce an orbital dependent electron tunneling model and implement it within the atom superposition approach for simulating scanning tunneling microscopy (STM) and spectroscopy (STS). Applying our method, we analyze the convergence…
A repulsive Hubbard model with both spin-asymmetric hopping (${t_\uparrow\neq t_\downarrow}$) and a staggered potential (of strength $\Delta$) is studied in one dimension. The model is a compound of the mass-imbalanced (${t_\uparrow\neq…
Mn-based full Heusler compounds possess well-defined local atomic Mn moments, and thus the correlation effects between localized d electrons are expected to play an important role in determining the electronic and magnetic properties of…
Recent seminal experiments have utilized time-resolved X-ray absorption spectroscopy (XAS) to investigate the ultrafast photo-induced renormalization of the electron interaction (''Hubbard $U$'') in Mott and charge transfer insulators. In…