Related papers: Anharmonicity in one-dimensional electron-phonon s…
Polaron and bipolaron formation in the Holstein-Hubbard model with harmonic confinement potential, relevant to quantum dot structures, is investigated in one to three dimensions by means of unbiased quantum Monte Carlo simulations. The…
We introduce the first bold diagrammatic Monte Carlo approach to deal with polaron problems at finite density non-perturbatively, i.e., by including vertex corrections to high orders. Using Holstein model on a square lattice as a…
The phase diagram of the half-filled spinless Holstein model for electrons interacting with quantum phonons is derived in three dimensions extending at finite temperature $T$ a variational approach introduced for the one-dimensional T=0…
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…
Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to…
Including the previously ignored dispersion of phonons we revisit the metal-insulator transition problem in one-dimensional electron-phonon systems on the basis of a modified spinless fermion Holstein model. Using matrix-product-state…
Anharmonicity of the inter-atomic potential is taken into account for the quantitative simulation of the conduction and valence band offsets for highly-strained semiconductor heterostructures. The anharmonicity leads to a weaker compressive…
We propose a model for charge density waves in ring shaped crystals, which depicts frustration between intra- and inter-chain couplings coming from cylindrical bending. It is then mapped to a three dimensional uniformly frustrated XY model…
It is known from the analysis of the density matrix for bipartite systems that the quantum discord (as a measure of quantum correlations) depends on the particular subsystem chosen for the projective measurements. We study asymmetry of the…
The effect of disorder on a class of transition metal oxides described by a single orbital Hubbard model at half filling is investigated. The phases are characterized by the nature of the electronic and spin excitations. The frequency and…
Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon coupling in superionic conductors. Using the example of cubic…
The half-filled attractive Hubbard model exhibits simultaneous charge density wave and superconducting order in its ground state. In this paper we explore the effect of disorder in the site energies on this degeneracy. We find that…
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…
We study the zero-temperature ($T = 0$) quantum rotor model with on-site disorder in the charging energy. Such a model may serve as an idealized Hamiltonian for an array of Josephson-coupled small superconducting grains, or superfluid…
The Holstein Model (HM) describes the interaction between fermions and a collection of local (dispersionless) phonon modes. In the dilute limit, the phonon degrees of freedom dress the fermions, giving rise to polaron and bipolaron…
We investigate electron-phonon coupling in many-electron systems using dynamical mean-field theory in combination with the numerical renormalization group. This non-perturbative method reveals significant precursor effects to the gap…
We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein…
We investigate charge ordering in the Holstein model in the presence of anisotropic hopping, $t_x, t_y=1-\delta, 1 + \delta$, as a model of the effect of strain on charge density wave (CDW) materials. Using Quantum Monte Carlo simulations,…
An optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems is proposed. The variational method is based on an expansion in coherent states that leads to a dramatic truncation in the phonon space.…
We present first-principles calculations of metallic atomic hydrogen in the 400-600 GPa pressure range in a tetragonal structure with space group $I4_1/amd$, which is predicted to be its first atomic phase. Our calculations show a band…