Related papers: Facile ab initio approach for self-localized polar…
A comparative study of electronic transport and spin polarization between clean and Aubry-Andre-Harper chains in the presence of electron-electron (e-e) and electron-phonon (e-ph) interactions is presented. The entire system is simulated…
Anatase and brookite are robust materials with enhanced photocatalytic properties. In this study, we used density functional theory (DFT) with a hybrid functional and the Hubbard on-site potential methods to determine electron and hole…
We study the formation of ferromagnetic and magnetic polaron states in weakly doped heterobilayer transition metal dichalcogenides in the ``heavy fermion'' limit in which one layer hosts a dense set of local moments and the other hosts a…
We study the effect of dynamical Holstein phonons on the physics of the Hubbard model at small doping using the dynamical cluster approximation on a $2\times2$ cluster. Non-local antiferromagnetic correlations are found to significantly…
When a mobile impurity interacts with a surrounding bath of bosons, it forms a polaron. Numerous methods have been developed to calculate how the energy and the effective mass of the polaron are renormalized by the medium for equilibrium…
We study the electronic transport through short DNA chains with various sequences of base pairs between voltage-biased leads. The strong coupling of the charge carriers to local vibrations of the base pairs leads to the formation of…
Polarons are entities of excess electrons dressed with local response of lattices, whose atomic-scale characterization is essential for understanding the many body physics arising from the electron-lattice entanglement, but yet difficult to…
The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of this coupling are exceedingly demanding as they necessitate…
Starting from Holstein's work on small polaron hopping, the evolution equations for localized and extended states in the presence of atomic vibrations are systematically derived for an amorphous semiconductor. The transition probabilities…
In systems with linear electron-phonon interaction (EPI), bound states of polarons, or bipolarons, form by gaining energy from the lattice deformation. The quadratic EPI case is fundamentally different: bipolarons form because electrons…
A simple model for the autolocalization of a free charged particle is presented. The polarization well in the model is deep enough for only one localized level. In dielectric materials with a sufficiently large dielectric constant, two…
Understanding interactions between excitons and correlated electronic states presents a fundamental challenge in quantum many-body physics. Here, we introduce a purely electronic model for the formation of exciton-polarons in moir\'e…
The polaronic system consisting of an impurity in a dilute Bose-Einstein condensate is considered in the presence of a narrow Feshbach resonance. For this purpose a coupled-channel model is used, which at the mean field level predicts the…
We have investigated structure and properties of small metal clusters using all-electron ab initio theoretical methods based on the Hartree-Fock approximation and density functional theory, perturbation theory and compared results of our…
We discuss the dynamics of the formation of a Bose polaron when an impurity is injected into a weakly interacting one-dimensional Bose condensate. While for small impurity-boson couplings this process can be described within the Froehlich…
The experimental observables for the elastic reaction induced by protons on electrons are calculated in the Born approximation. Model independent expressions are derived for the differential cross section and polarization observables.…
The dependence of the differential cross section and polarization observables in the $\bar N+N\to \pi +e^++e^-$ reaction on the polarizations of the proton target and antiproton beam (the produced electron may be unpolarized or…
Electron-positron pair production in an arbitrary polarized ultrastrong laser field is investigated in the first order perturbation approximation in which the Volkov states are used for convenient calculation of scattering amplitude and…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
The electrostatic interaction between metal spheres is an influential component in the assembly of many nanoscale materials in chemistry. Here we derive a method to calculate the energy and polarizations of metal spheres in arbitrary…