Related papers: Lattice dynamical properties of antiferromagnetic …
We study the dynamics of magnetic correlations in the half-filled fermionic Hubbard model following a fast ramp of the repulsive interaction. We use Schwinger-Keldysh self-consistent second-order perturbation theory to investigate the…
We present a new method to describe the kinetics of driven lattice gases with particle-particle interactions beyond hard-core exclusions. The method is based on the time-dependent density functional theory for lattice systems and allows one…
We performed ab initio lattice-dynamics calculations of frame-cluster dodecaborides ZrB12 and LuB12. As a whole, our calculated phonon frequencies and atom-projected density of states are consistent with the results of available…
We explore the derivation of interatomic exchange interactions in ferromagnets within density-functional theory (DFT) and the mapping of DFT results onto a spin Hamiltonian. We delve into the problem of systems comprising atoms with strong…
Applying the method of characteristics leads to wavefunctions and dynamic localization conditions for electrons on the one dimensional lattice under perpendicular time dependent electric and magnetic fields. Such conditions proceed again in…
The fermionic and bosonic sectors of the 2-site Hubbard model have been exactly solved by means of the equation of motion and Green's function formalism. The exact solution of the t-J model has been also reported to investigate the…
The properties of a phase at finite interactions can be significantly influenced by the underlying dispersion of the non-interacting Hamiltonian. We demonstrate this by studying the repulsive Hubbard model on the $2$D Lieb lattice, which…
The derivative discontinuity of the exchange-correlation (xc) energy at integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal…
We theoretically investigate the itinerant ferromagnetic transition of a spherically trapped ultracold Fermi gas with spin imbalance under strongly repulsive interatomic interactions. Our study is based on a self-consistent solution of the…
We investigate two-site electronic correlations within generalized Hubbard model, which incorporates the conventional Hubbard model (parameters: $t$ (hopping between nearest neighbours), $U$ (Coulomb repulsion (attraction)) supplemented by…
Selective optical excitation of a substrate lattice can drive phase changes across hetero-interfaces. This phenomenon is a non-equilibrium analogue of static strain control in heterostructures and may lead to new applications in optically…
We consider an efficient scheme to simulate fermionic Hubbard models with nonlocal density-density interactions in two dimensions, based on bond-centered auxiliary-field quantum Monte Carlo. The simulations are shown to be sign-problem free…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
Ab initio calculations and a direct method are applied to derive the phonon dispersion relations and phonon density of states for the ZrC crystal. The results are in good agreement with neutron scattering data. The force constants are…
We investigate the Hubbard Hamiltonian on ladders where the number of sites per rung alternates between two and three. These geometries are bipartite, with a non-equal number of sites on the two sublattices. Thus they share a key feature of…
Lattice kinetic equations incorporating the effects of external/internal force fields via a shift of the local fields in the local equilibria, are placed within the framework of continuum kinetic theory. The mathematical treatment reveals…
Activating transitions between a set of atomic internal states has emerged as an elegant scheme by which lattice models can be designed in ultracold atomic gases. In this approach, the internal states can be viewed as fictitious lattice…
We use non-equilibrium dynamical mean-field theory to demonstrate the existence of a critical interaction in the real-time dynamics of the Hubbard model after an interaction quench. The critical point is characterized by fast thermalization…
The effects of gauge interactions in graphene have been analyzed up to now in terms of effective models of Dirac fermions. However, in several cases lattice effects play an important role and need to be taken consistently into account. In…
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…