Related papers: Facile ab initio approach for self-localized polar…
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical…
We compute exactly both the spectral function of the electron and of the small polaron for the two site Holstein model. We find that for intermediary coupling, the small polaron is a better fundamental excitation of the system than the…
The absorption features of optically generated, short-lived small bound electron polarons are inspected in congruent lithium tantalate, ${\rm LiTaO}_3$ (LT), in order to address the question whether it is possible to localize electrons at…
The emergence of the bipolaronic phase and the formation of the heavy-electron state in the anharmonic Holstein model are investigated using the dynamical mean-field theory in combination with the exact diagonalization method. For a weak…
Starting from the $\pi$-electron Pariser-Parr-Pople (PPP) Hamiltonian which includes both strong electron-phonon and electron-electron interactions, we propose some strongly correlated wave functions of increasing quality for the ground…
Formation of self-trapped holes (STH) in a comprehensive list of scintillator materials, including halides and chalcogenides, are studied using an accurate and computationally efficient first-principles method, the polaron self-interaction…
We optimize the pulse shape and polarization of time-dependent electric fields to maximize the production of electron-positron pairs via strong field quantum electrodynamics processes. The pulse is parametrized in Fourier space by a…
The vibronic mixing by an odd-parity vibrational mode of two opposite-parity nearly-degenerate electronic states at a molecular site may drive the small polaron off-center. An associated electric dipole may occur due to broken inversion…
We extend the Feynman variational method applied to the parabolic-band Fr\"ohlich (continuum) large polaron~\cite{Feynman1955} to a Holstein (lattice) small polaron, with a parabolic-band. This new theory shows a discrete localisation as a…
We use a 1-dimensional tight binding model with an impurity site characterized by electron-vibration coupling, to describe electron transfer and localization at zero temperature, aiming to examine the process of polaron formation in this…
A large polaron is a quasiparticle that consists of a nearly free electron interacting with the phonons of a material, whose lattice parameters are much smaller than the polaron scale. The electron-phonon interaction also leads to an…
We propose a laser-based method for the preparation of high-energy polarized electrons, from the ionization of isolated spin-polarized hydrogen (SPH) atoms. The SPH atoms are prepared from the photodissociation of HCl, using two consecutive…
The paper reports on a study of electron-phonon interaction within a limited nanosized region. We invoked the modified Fr\"{o}hlich's Hamiltonian to calculate the electron self-energy, as well as the elastic and inelastic scattering cross…
When a mobile hole is doped into an antiferromagnet, its movement will distort the surrounding magnetic order and yield a magnetic polaron. The resulting complex interplay of spin and charge degrees of freedom gives rise to very rich…
In this work we report for the first time, to the best of our concern, the tunable electronic properties of Beta-Borophene (BB) on the polar substrate (ZrO_2). We provide an analytical prescription for the calculation of ground state energy…
Microscopic models of electronic subsystems with orbital degeneracy of energy states and non-diagonal matrix elements of electron interactions (correlated hopping) are considered within the configuration-operator approach. Equations for…
We study here polaron (soliton) states of electrons or holes in a model describing carbon-type nanotubes. In the Hamiltonian of the system we take into account the electron-phonon interaction that arises from the deformation dependencies of…
We consider a polaron model where molecular \emph{rotations} are important. Here, the usual hopping between neighboring sites is affected directly by the electron-phonon interaction via a {\em twist-dependent} hopping amplitude. This model…
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…
We introduce a theoretical model to scrutinize the conductivity of small polarons in one-dimensional disordered systems, focusing on two crucial --as will be demonstrated-- factors: the density of states and the spatial extent of the…