Related papers: Calculating polaron mobility in halide perovskites
Polarons are composite quasiparticles comprising electronic charge carriers taken together with the alterations they induce in surrounding condensed matter. Strong-coupling polarons form when electronic charge carriers become self-trapped:…
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,…
The efficiency of two-dimensional Dion-Jacobson-type materials relies on the complex interplay between electronic and lattice dynamics; however, questions remain about the functional role of exciton-phonon interactions. This study…
We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary…
Polarons, that is, charge carriers correlated with lattice deformations, are ubiquitous quasiparticles in semiconductors, and play an important role in electrical conductivity. To date most theoretical studies of so-called large polarons,…
Semiconductor excitations can hybridize with cavity photons to form exciton-polaritons (EPs) with remarkable properties, including light-like energy flow combined with matter-like interactions. To fully harness these properties, EPs must…
We study the motion of free magnetic polarons in a paramagnetic background of fluctuating local moments. The polaron can tunnel only to nearby regions of local moments when these fluctuate into alignment. We propose this fluctuation induced…
Tuning the thermal transport properties of hybrid halide perovskites is critical for their applications in optoelectronics, thermoelectrics, and photovoltaics. Here, we demonstrate an effective strategy to modulate the thermal transport…
We report on the exciton formation and relaxation dynamics following photocarrier injection in a single-layer two-dimensional lead-iodide perovskite. We probe the time evolution of four distinct exciton resonances by means of time-resolved…
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…
Perovskites have attracted much attention due to their remarkable optical properties. While it is well established that excitons dominate their optical response, the impact of higher excitonic states and formation of phonon sidebands in…
We present the first unbiased results for the mobility $\mu$ of one-dimensional Holstein polaron obtained by numerical analytic continuation combined with diagrammatic and world-line Monte Carlo methods in the thermodynamic limit. We have…
Halide perovskite semiconductors respond to electric fields in a way that varies across time and length scales. We discuss the microscopic processes that give rise to the macroscopic polarization of these materials, ranging from the optical…
A rotating organic cation and a dynamically disordered soft inorganic cage are the hallmark features of hybrid organic-inorganic lead-halide perovskites. Understanding the interplay between these two subsystems is a challenging problem but…
We present a theoretical study of superconductivity of polarons in the Hubbard-Holstein model. A residual kinematic interaction proportional to the square of the polaron hopping energy between polarons and phonons provides a pairing field…
The electrical resistivity, Hall coefficient, and thermopower as functions of temperature are reported for lightly electron-doped Ca(1-x)La(x)MnO(3)(0 <= x <= 0.10). Unlike the case of hole-doped ferromagnetic manganites, the magnitude and…
The dynamical behavior of an acoustic polaron in typical non-degenerate conjugated polymer, polydiacetylene, is numerically studied by using Su-Schrieffer-Heeger's model for the one dimensional electron-lattice system. It is confirmed that…
A conduction electron (or hole) together with its self-induced polarisation in a polar semiconductor or an ionic crystal forms a quasi-particle, which is called a polaron. The polaron concept is of interest, not only because it describes…
The concept of magnetic polaron is analysed and developed to elucidate the nature of itinerant charge carrier states in magnetic semiconductors and similar complex magnetic materials. By contrasting the scattering and bound states of…
Much recent attention has been devoted towards unravelling the microscopic optoelectronic properties of hybrid organic-inorganic perovskites (HOP). Here we investigate by coherent inelastic neutron scattering spectroscopy and Brillouin…