Related papers: Prediction of the atomistic Hubbard U interaction …
In the fermionic Hubbard model, doubly occupied states have an exponentially large lifetime for strong repulsive interactions U. We show that this property can be used to prepare a metastable s-wave superfluid state for fermionic atoms in…
We study Coulomb drag between the top and bottom surfaces of topological insulator films. We derive a kinetic equation for the thin-film spin density matrix containing the full spin structure of the two-layer system, and analyze the…
We present a method capable of calculating elastic scanning tunneling microscopy (STM) currents from localized atomic orbital density functional theory (DFT). To overcome the poor accuracy of the localized orbital description of the wave…
The latest advances in the field of photonics have enabled the simulation of an increasing number of quantum models in photonic systems, turning them into an important tool for realizing exotic quantum phenomena. In this paper we suggest…
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 large enough X and positive U the model shows three phases. For…
Scanning tunneling microscopy (STM) is a powerful local probe of correlated electronic states. Here we present a group theoretical framework for the analysis of STM data, filtering STM images into components which provide a real space…
Motivated by twisted transition metal dichalcogenides (TMDs), we study an extended Hubbard model with both on-site and off-site repulsive interactions, in which Mott insulating states with concomitant charge order occur at fractional…
The high harmonic spectrum of the Mott insulating Hubbard model has recently been shown to exhibit plateau structures with cutoff energies determined by $n$th nearest neighbor doublon-holon recombination processes. The spectrum thus allows…
This paper seeks to synthesize much recent work on the HTSC materials around the latest energy resolved scanning tunnelling microscopy (STM) results from Davis and coworkers. The STM conductance diffuse scattering results in particular are…
Ultrafast spin dynamics on femto- to picosecond timescales is simulated within a density-operator approach for a Co/Cu bilayer. The electronic structure is represented in a tight-binding form; during the evolution of the density operator,…
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…
We present a framework to characterize Mott insulating phases within the interacting one-body picture, focusing on the Hubbard diamond chain featuring both Hubbard interactions and spin-orbit coupling simulated within cellular dynamical…
Machine learning (ML) methods are extraordinarily successful at denoising photographic images. The application of such denoising methods to scientific images is, however, often complicated by the difficulty in experimentally obtaining a…
Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…
We present an improved way for imaging the local density of states with a scanning tunneling microscope, which consists in mapping the surface topography while keeping the differential conductance (d$I$/d$V$) constant. When archetypical…
Scanning Tunneling Microscopy (STM) enables fabrication of atomically precise structures with unique properties and growing technological potential. However, reproducible manipulation of covalently bonded atoms requires control over the…
We derive a "Wannier-Hubbard" model consisting of an array of overlapping atomic orbitals interacting via a local Coulomb interaction. Transforming to an orthogonal Wannier basis set, the resulting Hamiltonian displays long range hopping…
We analyze superconducting instabilities in 3D and 2D extended Hubbard model with Coulomb repulsion between electrons on neighboring sites in the limit of low electron density ($n_{el} \rightarrow 0$) on simple cubic (square) lattice. We…
Magnetic phase diagram for the Hubbard model on the Beta-Mn type lattice has been calculated as a function of the Coulomb interaction energy parameter U and the electron number per atom n by using the generalized Hartree-Fock approximation…
Using density functional theory (DFT) and linear response approaches, we compute the on-site Hubbard interaction $U$ of elemental Terbium (Tb) metal in the pressure range $\sim 0-65$ GPa. The resulting first-principles $U$ values with…