Related papers: Metastable Multi-centered Polarons in BiVO$_{4}$
Exceptionally displaceable ions, evidenced by huge ratios of materials static to high-frequency dielectric constants, enable short-range electron-phonon interactions to stabilize large planar bipolarons. These large bipolarons are compact…
Hyperbolic polaritons are conventionally associated with structural anisotropy or phononic Reststrahlen bands. Here, we predict a new class of hyperbolic polaritons arising from magnetic-field-induced cyclotron motion of charge carriers.…
Charge carriers in organic semiconductors form polarons, which are self-localized states stabilized by interactions with their environment. Using a dielectric-stabilized tight-binding model parameterized from first-principles calculations,…
A combination of Scanning Tunneling Microscopy/Spectroscopy and Density Functional Theory (DFT+U) is used to characterize excess electrons in TiO$_2$ rutile and anatase, two prototypical materials with identical chemical composition but…
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,…
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…
Subwavelength arrays of atoms trapped in optical lattices or tweezers are inherently susceptible to deformations: Optomechanical forces produce lattice distortions, which, in turn, modify the optical response of the array. We show that this…
Predicting the electrical properties of organic molecular crystals (OMCs) is challenging due to their complex crystal structures and electron-phonon (e-ph) interactions. Charge transport in OMCs is conventionally categorized into two…
Many-polaron systems with finite charge-carrier density are often encountered experimentally. However, until recently, no satisfactory theoretical description of these systems was available even in the framework of simple models such as the…
Small polarons remain a significant bottleneck in the realization of efficient devices using transition metal oxides. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain…
On the basis of the two-site polaron problem, which we solve by exact diagonalization, we analyse the spectral properties of polaronic systems in view of discerning localized from itinerant polarons and bound polaron pairs from an ensemble…
We present the first numerically exact study of self-trapped, a.k.a. soliton, states of electrons that form in materials with strong quadratic coupling to the phonon coordinates. Previous studies failed to observe predictions based on the…
Resonance Raman experiments on doped and photoexcited single crystals of mixed-halide $MX$ complexes ($M$=Pt; $X$=Cl,Br) clearly indicate charge separation: electron polarons preferentially locate on PtBr segments while hole polarons are…
In this study, we investigate the formation of electron and hole small polarons in the prototypical ferroelectric material BaTiO3, with a focus on their interaction with ferroelectric distortive fields. To accurately describe the…
For a neutral system of positive and negative charges, such as atoms in a crystal, increasing the density causes the Mott transition from bound electrons to free electrons. The density of optically generated electron-hole systems can be…
Iron tungstate (FeWO$_4$) and manganese tungstate (MnWO$_4$) belong to a family of wolframite-type materials that has applications in various areas, including supercapacitors, batteries, and multiferroics. A detailed understanding of bulk…
Charge carrier localization in extended atomic systems has been described previously as being driven by disorder, point defects or distortions of the ionic lattice. Here we show for the first time by means of first-principles computations…
We apply the Dynamical Mean Field Theory to the problem of charge ordering. In the normal state as well as in the Charge Ordered (CO) state the existence of polarons, i.e. electrons strongly coupled to local lattice deformation, is…
In polymeric semiconductors, charge carriers are polarons, which means that the excess charge deforms the molecular structure of the polymer chain that hosts it. This effect results in distinctive signatures in the vibrational modes of the…
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…