Related papers: Variational first-principles approach to self-trap…
We study the coherent dynamics of a Holstein polaron in strong electric fields. A detailed analytical and numerical analysis shows that even for small hopping constant and weak electron-phonon interaction, polaron states can become…
In magnetic superconductors vortices polarize spins nonuniformly and repolarize them when moving. At a low spin relaxation rate and at low bias currents vortices carrying magnetic polarization clouds become polaron-like and their velocities…
Chemical reactions and energy transport phenomena have been experimentally reported to be significantly affected by strong light-matter interactions and vibrational polariton formation. These quasiparticles exhibit nontrivial transport…
Theoretical treatment of the electron spin echo envelope modulation (ESEEM) spectra from polarons in a semiconducting $\pi$- conjugated polymer is presented. The contact hyperfine coupling and the dipolar interaction between the polaron and…
Electron-phonon ($e$-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons and metal-insulator transitions. First-principles approaches enable accurate…
We present a theoretical approach to determine the electronic properties of nanoscale systems exhibiting strong electron-electron and electron-phonon interactions and coupled to metallic electrodes. This approach is based on an…
The Hamiltonian describing a system of strongly correlated electrons coupled to dispersionless phonons was solved numerically for a ring of 8 atoms using the density matrix renormalization group (DMRG) method. It was found that electron…
Using a combination of first-principles and magnetization-dynamics calculations, we study the effect of the intense optical excitation of phonons on the magnetic behavior in insulating magnetic materials. Taking the prototypical…
We revisit from a quantum-information perspective a classic problem of polaron theory in one dimension. In the context of the Holstein model we show that a simple analysis of quantum entanglement between excitonic and phononic degrees of…
We develop and compare several analytical approximations for the polaron problem in finite-width, non-parabolic conduction bands. The main focus of the work is an extension of the Feynman variational method to a tight-binding lattice, where…
The formation of the electron-phonon induced bipolaron is shown to be feasible in organic semiconductors at the interface with dielectric gates due to the coupling of the carriers with interface vibrational modes and to the weak to…
We consider electron(hole)-phonon coupling in crystalline organic semiconductors, using naphthalene for our case study. Employing a first-principles approach, we compute the changes in the self-consistent Kohn-Sham potential corresponding…
Charge carrier localization in extended atomic systems has been described previously as being driven by disorder, point defects or distortions of the ionic lattice. Here we show for the first time by means of first-principles computations…
A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the…
We performed quantum Monte Carlo study of the exciton-polaron model which features the self-trapping phenomenon when the coupling strength and/or particle momentum is varied. For the first time accurate data for energy, effective mass, the…
Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard theories of electron-phonon interactions fail to describe the…
Polarons are among the most fundamental quasiparticles emerging in interacting many-body systems, forming already at the level of a single mobile dopant. In the context of the two-dimensional Fermi-Hubbard model, such polarons are predicted…
Dynamical simulations of polaron transport in conjugated polymers in the presence of an external time-dependent electric field have been performed within a combined extended Hubbard model (EHM) and Su-Schrieffer-Heeger (SSH) model. Nearly…
Employing a self-consistent (optimized) variational diagonalization scheme, we investigate the formation of polaronic quasiparticles in a spinless fermion-boson transport model that couples the movement of charge carriers to fluctuations…
An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large…