Related papers: Estimates of Effective Hubbard Model Parameters fo…
We have studied a simple effective model of charge ordered insulators. The tight binding Hamiltonian consists of the effective on-site interaction U and the intersite density-density interaction Wij (both: nearest-neighbor and…
We derive an effective cluster model to address the transport properties of mutually interacting small polarons. We propose a decoupling scheme where the hopping dynamics of any given particle is determined by separating out explicitly the…
The electronic properties of single-layer antimony are studied by a combination of first-principles and tight-binding methods. The band structure obtained from relativistic density functional theory is used to derive an analytic…
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 effective on-site Coulomb interaction (Hubbard $U$) between localized electrons at crystal surfaces is expected to be enhanced due to the reduced coordination number and reduced subsequent screening. By means of first principles…
The extrapolation of small-cluster exact-diagonalization calculations is used to examine ferromagnetism in the one-dimensional Hubbard model with a generalized type of hopping. It is found that the long-range hopping with power decaying…
Cold atom systems provide a rich platform to realize strongly interacting condensed matter systems, and recent progress in fluorescence imaging technique has enabled identification of nontrivial doublon, singlon, and holon correlation…
We study the one- and two- dimensional extended Hubbard model by means of the Composite Operator Method within the 2-pole approximation. The fermionic propagator is computed fully self-consistently as a function of temperature, filling and…
We derive numerical tight-binding hopping parameters to describe conduction-band dispersion in arbitrary orientational phases of $A_3$C$_{60}$. The parameters are obtained by direct Fourier inversion of the spectra from self-consistent…
Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials. We propose a self-contained calculation scheme to construct,…
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…
In this paper, we study the Hubbard model with intersite Coulomb interaction in the ionic limit (i.e. no kinetic energy). It is shown that this model is isomorphic to the spin-1 Ising model in presence of a crystal field and an external…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…
We use the Kotliar-Ruckenstein slave boson technique to treat the strong correlation of the Hubbard model. In a first part we discuss the metal to insulator transition that is occurring on the honeycomb lattice at half filling. We find the…
We investigate the behavior of disordered interacting electrons in the insulating regime. Our study is based on the quantum Coulomb glass model which is obtained from the classical Coulomb glass by adding hopping matrix elements between…
The discretization approximation method commonly used to simulate the dynamics of quantum system coupled to the environment in continuum often suffers from the periodically partial recovery of initial state because of the effect of finite…
Separating the Coulomb potential into short-range and long-range components enables the use of different electron repulsion integral algorithms for each component. The short-range part can be efficiently computed using the analytical…
We study inhomogeneous one-dimensional Hubbard systems using the density matrix renormalization group method. Different heterostructures are investigated whose configuration is modeled varying parameters like the on-site Coulomb potential…
The interactions between holes in the Hubbard model, in the low density, intermediate to strong coupling limit, are investigated. Dressed spin polarons in neighboring sites have an increased kinetic energy and an enhanced hopping rate. Both…
The electron-hole states of semiconductor quantum dots are investigated within the framework of empirical tight-binding descriptions for Si, as an example of an indirect gap material, and InAs and CdSe as examples of typical III-V and II-VI…