Related papers: Analytic method for quadratic polarons in nonparab…
In this work, a new theoretical approach to study the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. The proposed approach consists in a…
We calculate the low temperature properties of an acoustic polaron in three dimensions in thermal equilibrium at a given temperature using a specialized path integral Monte Carlo method. In particular we find numerical evidence that the…
Recent experiments on metallic nanohybrids have revealed unusually strong electron-phonon effects emerging from nanoscale interfaces, despite the weak coupling character of the constituent bulk materials. Motivated by these observations, we…
This study details the conditions under which strong-coupling perturbation theory can be applied to the molecular crystal model, a fundamental theoretical tool for analysis of the polaron properties. I show that lattice dimensionality and…
We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…
Using the Quantum Monte Carlo (QMC) technique within frozen-phonon, we studied the effects of the half-breathing O$(\pi,0)$ phonon mode on the ground-state properties of the three-band Peierls-Hubbard model. Our simulations are performed…
We investigate the effect of anharmonicity on the one-dimensional half-filled Holstein model by using the determinant quantum Monte Carlo method. By calculating the order parameters we find that with and without anharmonicity there is…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
We developed a theory of charge transport in a system of non-interacting polarons. The theory was conducted to a compact relation through a nonperturbative method based on electron-phonon Hamiltonian. The derived final result represents…
We develop a first-principles approach for the treatment of vibronic interactions in solids that overcomes the main limitations of state-of-the-art electron-phonon coupling formalisms. In particular, anharmonic effects in the nuclear…
We solve the problem of polaron localization on an attractive impurity by means of direct-space Diagrammatic Monte Carlo implemented for the system in the thermodynamic limit. In particular we determine the ground state phase diagram in…
We study the role of non-adiabatic Holstein electron-phonon coupling on the neutral-ionic phase transition of charge transfer crystals which can be tuned from continuous to discontinuous, using exact numerical diagonalization. The variation…
Using for unperturbed electron and phonon Hamiltonians a representation by the Jacobi matrices a one-dimensional model of the electron-phonon interaction is constructed. In frame of the model the polaron and scattering spectral bands are…
We study the crossover of a finite one-dimensional (1D) bosonic ensemble from weak to strong interactions in harmonic traps and multi-well potentials. Although these systems are very common in experimental setups and have been studied…
The three band p-d model of strongly correlated electrons interacting with optical phonon via diagonal and off-diagonal electron-phonon interaction is considered within cluster perturbation theory. At first step the exact diagonalization of…
Polarons, which arise from the self-trapping interaction between electrons and lattice distortions in a solid, have been known and extensively investigated for nearly a century. Nevertheless, the study of polarons continues to be an active…
We present recent advances in understanding of the ground and excited states of the electron-phonon coupled systems obtained by novel methods of Diagrammatic Monte Carlo and Stochastic Optimization, which enable the approximation-free…
We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the…
The dynamical interplay between electron-electron interactions and electron-phonon coupling is investigated within the Anderson-Holstein model, a minimal model for open quantum systems that embody these effects. The influence of phonons on…
The unique structure of two-dimensional (2D) Dirac crystals, with electronic bands linear in the proximity of the Brillouin-zone boundary and the Fermi energy, creates anomalous situations where small Fermi-energy perturbations are known to…