Related papers: Charge-density-wave instability in the Holstein mo…
Nonequilibrium interplay between charge, spin and lattice degrees of freedom on a square lattice is studied for a single charge carrier doped in the t-J-Holstein model. In the presence of an uniform electric field we calculate the…
Elementary excitations of the 4k$_F$ charge density wave state of a quarter-filled strongly correlated electronic one-dimensional chain are investigated in the presence of dispersionless quantum optical phonons using Density Matrix…
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the…
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.…
We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…
The complex interplay among on-site energy, Hubbard U, and coupling to Holstein and Peierls phonons at the neutral-ionic phase transition is discussed using diagrammatic valence bond calculations. The charge transfer and dimerization…
A detailed study of the anharmonicity-induced resonances caused by the coupling of center-of-mass and relative motion is presented for a system of two ultracold atoms in single-well potentials. As has been confirmed experimentally, these…
Due to the dispersion of optical phonons, long range electron-phonon correlations renormalize downwards the coupling strength in the Holstein model. We evaluate the size of this effect both in a linear chain and in a square lattice for a…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
A study of charged particle and quasi-particle anharmonic lattice excitations in a meta-stable crystal of layered structure at high temperature has shown that a mobile lattice excitation called a quodon can bind securely to a hole or…
An analytical approach, based on the unitary transformation method, has been developed to study the effect of quantum lattice fluctuations on the ground state of a model electron-phonon system. To study nonadiabatic case, the Green's…
The ground state of the one-dimensional t-J model coupled with phonons in the adiabatic limit is numerically investigated by use of the Lanczos technique at quarter filling. Due to the interplay between the electron-electron Coulomb…
Using density functional theory within the local density approximation we report a study of the electron-phonon coupling in NbC$_{1-x}$N$_x$ and NbN crystals in the rocksalt structure. The Fermi surface of these systems exhibits important…
We quantitatively characterize the metastability in a multi-phase lattice Boltzmann model. The structure factor of density fluctuations is theoretically obtained and numerically verified to a high precision, for all simulated wave-vectors…
Electron-electron and electron-phonon interactions are responsible for the formation of spin, charge, and superconducting correlations in layered quantum materials. A paradigmatic model for such materials that captures both kinds of…
We address the question of the origin of the recently discovered chiral property of the charge-density-wave phase in 1$T$-TiSe$_2$ which so far lacks a microscopic understanding. We argue that the lattice degrees of freedom seems to be…
We consider a model Hamiltonian for a dimer including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term, and an electron-phonon coupling of the Holstein type. The bare…
Spectral, optical and transport properties of an anisotropic three-dimensional Holstein model are studied within the adiabatic approximation. The parameter regime is appropriate for organic semiconductors used in single crystal based field…
The thermodynamics of a charge-asymmetric lattice gas of positive ions carrying charge $q$ and negative ions with charge $-zq$ is investigated using Debye-H\"uckel theory. Explicit analytic and numerical calculations, which take into…
A new kinetic instability which results in formation of charge density waves is proposed. The instability is of a purely classical nature. A spatial period of arising space-charge and field configuration is inversely proportional to…