Related papers: Analytic method for quadratic polarons in nonparab…
We present an exact Monte Carlo method to simulate the nonequilibrium dynamics of electron-phonon models in the adiabatic limit of zero phonon frequency. The classical nature of the phonons allows us to sample the equilibrium phonon…
This paper describes a simple and general method for deriving the inelastic collision term in the electron Boltzmann equation for scattering from a coupled electron-phonon system, and applies the method to the case of doped polar…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
The frozen-phonon method, used to calculate electron-phonon coupling effects, requires calculations of the investigated structure using atomic coordinates displaced according to a certain phonon eigenmode. The process of "freezing-in" the…
We investigate the interplay of electron-phonon (EP) coupling and strong electronic correlations in the frame of the two-dimensional (2D) Holstein t-J model (HtJM), focusing on polaronic ordering phenomena for the quarter-filled band case.…
We use path integral Monte Carlo to study the energetics of excitons in layered, hybrid organic-inorganic perovskites in order to elucidate the relative contributions of dielectric confinement and electron-phonon coupling. While the…
The renormalization of electronic eigenenergies due to electron-phonon coupling is sizable in many materials with light atoms. This effect, often neglected in ab-initio calculations, can be computed using the perturbation-based…
We analyze electron-phonon correlation functions measured in 1D polaron ground states of the Holstein Hamiltonian using the Global-Local variational method. The spatial collapse of electron-phonon correlations is found to occur in concert…
Understanding nonequilibrium electron-phonon interactions at the microscopic level and on ultrafast timescales is a central goal of modern condensed matter physics. Combining time- and angle-resolved extreme ultraviolet photoemission…
We study the direct calculation of total energy derivatives for lattice dynamics and electron-phonon coupling calculations using supercell matrices with non-zero off-diagonal elements. We show that it is possible to determine the response…
We examine coherent phonons in a strongly driven sample of optimally-doped high temperature superconductor YBa$_2$Cu$_3$O$_{7-\delta}$. We observe a non-linear lattice response of the 4.5\,THz copper-oxygen vibrational mode at high…
Phonons are fundamentally important for many materials properties, including thermal and electronic transport, superconductivity, and structural stability. Here, we describe a method to compute phonons in correlated materials using…
Exciton-polaron formation in one-dimensional lattice models with short or long-range carrier-phonon interaction is studied by quantum Monte Carlo simulations. Depending on the relative sign of electron and hole-phonon coupling, the…
We present the results of Quantum Monte Carlo calculations for a two dimensional frustrated Hubbard model coupled to bond phonons. The model is known to have a d-wave superconducting ground state in the limit of large phonon frequency for…
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…
Electromagnetic dipole polarizabilities are fundamental properties of a hadron that represent its resistance to deformation under external fields. For a charged hadron, the presence of acceleration and Landau levels complicates the…
A new numerical method is proposed for determining the low-frequency dynamics of the charge carrier coupled to the deformable quantum lattice. As an example, the polaron band structure is calculated for the one-dimensional Holstein model.…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…
Lattice contribution to the electronic self-energy in complex correlated oxides is a fascinating subject that has lately stimulated lively discussions. Expectations of electron-phonon self-energy effects for simpler materials, such as Pd…