Related papers: Metastable Multi-centered Polarons in BiVO$_{4}$
The conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) is one of the most researched materials. The 1980s bipolaron model remains the dominant interpretation of the electronic structure of PEDOT. Recent theoretical studies have…
Electrons coupled to local lattice deformations end up in selftrapped localized molecular states involving their binding into bipolarons when the coupling is stronger than a certain critical value. Below that value they exist as essentially…
Interactions between quasiparticles are of fundamental importance and ultimately determine the macroscopic properties of quantum matter. A famous example is the phenomenon of superconductivity, which arises from attractive electron-electron…
Polarons are among the most elementary quasiparticles of interacting quantum matter, consisting of a charge carrier dressed by an excited background. In Mott insulators, they take the form of a dopant surrounded by a distorted…
We consider dressing of excitonic properties by strongly correlated electrons in gate controlled twisted homo-bilayer heterostructures. The combined effect of the moir\'e potential and the Coulomb interaction supports the formation of…
Understanding the charge carrier transport in the disordered organic molecular semiconductors is a fascinating and still unresolved problem in modern condensed-matter physics, yet has an extremely important bearing on their application in…
Unusually large spontaneous and piezoelectric fields in the III-V nitrides have led to the making of an entirely new class of two-dimensional electron gas. Fluctuation from a perfectly periodic binary structure in highly polar semiconductor…
The BCS theory has been extended by us to the strong-coupling regime where carriers are small lattice polarons and bipolarons. Here I review the multi-polaron strong-coupling theory of superconductivity. Attractive electron correlations,…
When an electron-hole pair is optically excited in a semiconductor quantum dot the host crystal lattice needs to adapt to the presence of the generated charge distribution. Therefore the coupled exciton-phonon system has to establish a new…
We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…
Magnetic resonance methods offer a unique chance for in-depth study of conductive organic material systems, not only accounts for number of charge carriers, but also allows manipulations of spin dynamics of particles. Here we present a…
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…
By combining first principles calculations and experimental XPS measurements, we investigate the electronic structure of potential Li-ion battery cathode materials LiMPO4 (M=Mn,Fe,Co,Ni) to uncover the underlying mechanisms that determine…
The metallic delafossites host ultra-high mobility carriers in the bulk, while at their polar surfaces, intrinsic electronic reconstructions stabilise markedly distinct electronic phases, from charge-disproportionated insulators, to…
Understanding and controlling coupled ionic-polaronic dynamics is crucial for optimizing electrochemical performance in battery materials. However, studying such coupled dynamics remains challenging due to the intricate interplay between…
Polarons play a major role in the description of optical, electrical and dielectrical properties of several ferroelectric oxides. The motion of those particles occur by elementary hops among the material lattice sites. In order to compute…
Polarons - electrons coupled with lattice vibrations - play a key role in the transport and optical properties of many systems of reduced dimension and dimensionality. Their confinement affects drastically the phonon, polaron, bipolaron and…
Using ultrafast optical spectroscopy, we show that polaronic behavior associated with interfacial antiferromagnetic order is likely the origin of tunable magnetotransport upon switching the ferroelectric polarity in a…
Polaron formation in pump-probe experiments is an inherently non-equilibrium phenomenon, driven by the ultrafast coupled dynamics of electrons and phonons, and culminating in the emergence of a localized quasiparticle state. In this work,…
Exact calculations of collective excitations and charge/spin (pseudo)gaps in an ensemble of bipartite and nonbipartite clusters yield level crossing degeneracies, spin-charge separation, condensation and recombination of electron charge and…