Related papers: Large (bi)polarons for novel energy conversion and…
Polarons can naturally form in materials from the interaction of extra charge carriers with the atomic lattice. Ubiquitous, they are central to various topics and phenomena such as high-T$_c$ superconductivity, electrochromism,…
In materials with strong electron-phonon ($e$-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge transport and its temperature dependence in the polaron…
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…
Bismuth vanadate (BiVO4 BVO) is a promising photocatalyst for solar energy conversion, but its efficiency is limited by small polaron formation. However, some physical properties of BVO deviate from typical small polaron behavior. Using the…
When an electron interacts with phonons, the electron can exhibit either free electron-like or polaron-like properties. The latter tends to occur for very strong coupling, and results in a phonon cloud accompanying the electron as it moves,…
Charge trapping and formation of polarons is a pervasive phenomenon in transition metal oxide compounds, in particular at the surface, affecting fundamental physical properties and functionalities of the hosting materials. Here we…
Halide perovskites emerged as a revolutionary family of high-quality semiconductors for solar energy harvesting and energy-efficient lighting. There is mounting evidence that the exceptional optoelectronic properties of these materials…
We consider the polaron dynamics driven by Frohlich type, long wavelength dominated electron-phonon interaction, for three different semi-metals: single and bilayer graphene, and semi-Dirac, all grown on polar substrates such as, SiC or…
Despite its simple structure and low degree of electronic correlation, SrTiO$_3$ (STO) features collective phenomena linked to charge transport and, ultimately, superconductivity, that are not yet fully explained. Thus, a better insight in…
Charge transport is crucial to the performance of hybrid halide perovskite solar cells. A theoretical model based on large polarons is proposed to elucidate charge transport properties in the perovskites. Critical new physical insights are…
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…
Small polaron behavior in a two dimensional honeycomb net is studied by applying the strong coupling perturbative method to the Holstein molecular crystal model. We find that small optical polarons can be mobile also if the electrons are…
It is shown that charge transport in substituted manganites (La1/3Sm2/3)0.67Ba0.33-xSrxMnO3 (x = 0.0, 0.1, 0.2 and 0.33) is through polarons which are formed through electron-phonon coupling whose strength determines the mobility of the…
It is widely accepted that phonon-mediated high-temperature superconductivity is impossible at ambient pressure, because of the very large effective masses of polarons/bipolarons at strong electron-phonon coupling. Here we challenge this…
When the electron-phonon coupling is quadratic in the phonon coordinates, electrons can pair to form bipolarons due to phonon zero-point fluctuations, a purely quantum effect. We study superconductivity originating from this pairing…
The behavior of charge carriers in polar materials is governed by electron-phonon interactions, which affect their mobilities via phonon scattering and may localize carriers into self-induced deformation fields, forming self-trapped…
This article reviews recent theoretical developments in the ab initio study of polarons in materials. The polaron is an emergent quasiparticle that arises from the interaction between electrons and phonons in solids, and consists of an…
Controlling the effects of photoexcited polarons in transition metal oxides can enable the long timescale charge separation necessary for renewable energy applications as well as controlling new quantum phases through dynamically tunable…
Over the last decade several competing models of high-temperature superconductivity were proposed, most of them with short-range interactions. We review a more realistic model with strong on-site repulsive correlations, the Coulomb and…
In the present study we revise the possible polaron contribution to the charge and energy transfer over long distances in biomolecules like DNA. The harmonic and the simple inharmonic ($U(x) = x^2/2 - \beta x^3/3$) lattices are considered.…