Related papers: Perturbative expansion using variational phonon ba…
The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single site limit, at half-filling, the electron-phonon coupling results in a double well structure for the lattice…
Simulations of lattice particle - phonon systems are fundamentally restricted by the exponential growth of the number of quantum states with the lattice size. Here, we demonstrate an algorithm that constructs the lowest eigenvalue and…
We first propose fundamental solutions of wave propagation in one-dimensional dispersive chain subject to a localized initial perturbation in the displacement. Analytical solutions are obtained for both second order nonlinear dispersive…
Extending the Froehlich polaron problem to a discrete ionic lattice we study a polaronic state with a small radius of the wave function but a large size of the lattice distortion. We calculate the energy dispersion and the effective mass of…
We investigate the effect of electronic correlations on the coupling of electrons to Holstein phonons in the one-band Hubbard model. We calculate the static electron-phonon vertex within linear response of Kotliar-Ruckenstein slave-bosons…
We compute the phonon dispersion, density of states, and the Gr\"uneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory (DMFT). We find good agreement with experimental results…
We study the quantum dynamics of small polaron formation and polaron transport through finite quantum structures in the framework of the one-dimensional Holstein model with site-dependent potentials and interactions. Combining Lanczos…
The evolution of the role of lattice vibrations in the formation of the pseudogap state in strongly correlated electron systems has been investigated concerning changes in the electron-phonon coupling parameters and the concentration of…
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…
Understanding the fundamental properties that dictate photoexcited polarons in materials is critical to tuning their properties. Theoretical models of polarons have only recently been extended to the excited state. Experimental measurements…
We provide a comprehensive solution to the lattice dynamics problem in the two dimensional Holstein model at finite electron density and finite temperature. We work in the physically relevant adiabatic regime and vary the electron-phonon…
We study the thermal distribution of phonons in a graphene sheet. Due to the two electronic bands there are two out-of-plane phonon modes with respect to the two sublattices. One of these modes undergoes an Ising transition by spontaneously…
Electron- and phonon spectral functions of the one-dimensional, spinless-fermion Holstein model at half filling are calculated in the four distinct regimes of the phase diagram, corresponding to an attractive or repulsive Luttinger liquid…
Phonon dispersions in <100> silicon nanowires (SiNW) are modeled using a Modified Valence Force Field (MVFF) method based on atomistic force constants. The model replicates the bulk Si phonon dispersion very well. In SiNWs, apart from four…
Starting from the Flohlich electron-phonon model, which has a history of 50 years, a new unitary transformation is proposed to implement the perturbation treatment. Our main results are: (1)The phonon-induced interaction shows a crossover…
The calculation of electron-phonon (e-ph) coupling from first principles is a topic of great interest in materials science, offering a robust, non-empirical framework to understand and predict a wide range of physical phenomena. While…
We present impelling evidence of topological phase transitions induced by electron-phonon (e-ph) coupling in an $\alpha$-$T_3$ Haldane-Holstein model that presents smooth tunability between graphene ($\alpha=0$) and a dice lattice…
An analytical approach to the one-dimensional spinless Holstein model is proposed, which is valid at finite charge-carrier concentrations. Spectral functions of charge carriers are computed on the basis of self-energy calculations. A…
We have extended the momentum-dependent local-ansatz (MLA) wavefunction method to the first-principles version using the tight-binding LDA+U Hamiltonian for the description of correlated electrons in the real system. The MLA reduces to the…
Using the momentum average (MA) approximation, we find an analytical expression for the disorder-averaged Green's function of a Holstein polaron in a three-dimensional simple cubic lattice with random on-site energies. The on-site disorder…