Related papers: Extended Hubbard model on a C$_{20}$ molecule
Traditionally one and two-point correlation functions are used to characterize many-body systems. In strongly correlated quantum materials, such as the doped 2D Fermi-Hubbard system, these may no longer be sufficient because higher-order…
The Nagaoka ($U=\infty$) limit of the Hubbard model on a square lattice is mapped onto the itinerant-localized Kondo model at infinitely strong coupling. Such a model is well suited to perform quantum Monte Carlo (QMC) simulations to…
We have recently developed a canonical transformation of the Hubbard and related models, valid for systems of arbitrary size and for the full plane; this is particularly suited to study hole pairing. In this work we show that exact…
The interplay between strong light-matter interactions and charge doping represents an important frontier in the pursuit of exotic many-body physics and optoelectronics. Here, we consider a simplified model of a two-dimensional…
We model a quantum dot-array (with one electron per dot) comprising of two (or more than two) coupled dots by an extended Hubbard Hamiltonian to investigate the role played by the inter-dot tunneling amplitude td, together with intra-dot…
The spin configuration induced by single holes and hole pairs doped into stoichiometric, antiferromagnetic cuprates is considered. Unrestricted Hartree-Fock calculations for the three-band Hubbard model are employed to study spin-polaron…
The appearance of certain spectral features in one-dimensional (1D) cuprate materials has been attributed to a strong, extended attractive coupling between electrons. Here, using time-dependent density matrix renormalization group methods…
We consider the Kane-Mele model with spin-orbit coupling supplemented by a Hubbard U term. On the basis of projective auxiliary field quantum Monte Carlo simulations on lattice sizes up to 15 x 15, we map out the phase diagram. The quantum…
We study the correlated electronic structure of single-layer iridates based on structurally-undistorted Ba$_2$IrO$_4$. Starting from the first-principles band structure, the interplay between local Coulomb interactions and spin-orbit…
For superconducting nanowire with the pairing of extended s-type symmetry, Rashba spin-orbit interaction in a magnetic field, the influence of strong intersite charge correlations on single-particle Majorana excitations is analyzed. This…
We prove that the Kane-Mele-Hubbard model with purely imaginary next-nearest-neighbor hoppings has a particle-hole symmetry at half-filling. Such a symmetry has interesting consequences including the absence of charge and spin currents…
By going beyond Hubbard Hamiltonian we reflected correlation effects accurately in the wavefunctions of H2. Using ab initio e-e interaction parameters resulted maximally entangled ground and third excited states. We assigned this maximally…
The magnetic properties of the two-site Hubbard cluster (dimer or pair), embedded in the external electric and magnetic fields and treated as the open system, are studied by means of the exact diagonalization of the Hamiltonian. The…
Exact diagonalisations of the extended Hubbard model are performed. In the insulating regime it is shown that the nearest neighbour copper-oxygen repulsion, $V$, leads to Frenkel excitons in the charge transfer gap at values of $V$ of the…
Strongly interacting electron systems can provide insight into quantum many-body phenomena, such as Mott insulating behavior and spin liquidity, facilitating semiconductor optimization. The Fermi-Hubbard model is the prototypical model used…
By the example of the Hubbard model we analytically and numerically examine the formating and coexisting of localized electron--electron pairs (doublons) and localized electron--hole pairs (Frenkel--type excitons) . Here we demonstrate that…
The interplay between magnetism and doping is at the origin of exotic strongly correlated electronic phases and can lead to novel forms of magnetic ordering. One example is the emergence of incommensurate spin-density waves with a wave…
Microscopic models of electronic subsystems with orbital degeneracy of energy states and non-diagonal matrix elements of electron interactions (correlated hopping) are considered within the configuration-operator approach. Equations for…
Tools of quantum information theory offer a new perspective to characterize phases and phase transitions in interacting many-body quantum systems. The Hubbard model is the archetypal model of such systems and can explain rich phenomena of…
A natural explanation for the carrier concentration-dependent electronic behavior in the layered cobaltates emerges within correlated-electron Hamiltonians with finite on-site and significant nearest neighbor hole-hole Coulomb repulsions.…