Related papers: Enhanced coarsening of charge density waves induce…
Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…
We perform a detailed study of the phase transitions and mechanisms of electron localization in the extended Hubbard model using the dynamical cluster approximation on a $2\times 2$ cluster. We explore the interplay of charge order and Mott…
We found analytical solution for the time evolution of localized electron density in a system of two coupled single-level quantum dots (QDs) connected with continuous spectrum states in the presence of Coulomb interaction. This solution…
Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard and t-J models including local Holstein and/or Peierls couplings to the lattice are…
A charge density wave (CDW) is a phase of matter characterized by a periodic modulation of the valence electron density accompanied by a distortion of the lattice structure. The microscopic details of CDW formation are closely tied to the…
To investigate the coexistence of superconductivity and charge density wave (CDW) in a correlated regime, we employ the Green's functions formalism, as well as the Hubbard-I approximation, as a way to introduce the correlations into the…
We consider the Hubbard-Holstein model in the adiabatic limit to investigate the effects of electron-electron interactions on the electron-phonon coupling. To this aim we compute at any momentum and filling the static charge susceptibility…
We investigate the density instabilities present in the infinite-U Hubbard-Holstein model both at zero and finite momenta as well as the occurrence of Cooper instabilities with a specific emphasis on the role of long-range Coulomb forces.…
Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated…
The influence of an external magnetic field on a quasi one-dimensional system with a charge density wave (CDW) instability is treated within the random phase approximation which includes both CDW and spin density wave correlations. We show…
The resonant interaction of relativistic electrons and whistler waves is an important mechanism of electron acceleration and scattering in the Earth radiation belts and other space plasma systems. For low amplitude waves, such an…
We investigate the nonequilibrium dynamics induced by an interaction quench in the semiclassical Holstein model within the Ehrenfest nonadiabatic framework, which describes an isolated hybrid quantum-classical system with strictly conserved…
Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray…
The wavefunction method provides us with a useful tool to describe electron correlations in solids at the ground state. In this paper we review the recent development of the momentum-dependent local ansatz wavefunction (MLA). It is…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H$_2^+$ can have large contributions arising from dynamical electron-nuclear correlation, going beyond what any electrostatics-based…
We study the effects of bond-charge interaction (or correlated hopping) on the properties of the extended ({\it i.e.,} with both on-site ($U$) and nearest-neighbor ($V$) repulsions) Hubbard model in one dimension at half-filling. Energy…
We use determinant quantum Monte Carlo to study the half-filled `bond-Holstein' model on a square lattice. We find that the model exhibits a charge-density-wave (CDW) phase transition with a critical temperature $T_\mathrm{cdw}$…
Charge-density-wave (CDW) order has long been interpreted as arising from a Fermi-surface instability in the parent metallic phase. While phonon-electron coupling has been suggested to influence the formation of CDW order in…
A number of intriguing phenomena, including exciton condensation, orbital ordering, and emergence of chirality, have been proposed to accompany charge-density-wave (CDW) formation in the layered transition metal dichalcogenide…