Related papers: Calculating polaron mobility in halide perovskites
Polarons, introduced by Davydov to explain energy transport in $\alpha$-helices, correspond to electrons localised on a few lattice sites because of their interaction with phonons. While the static polaron field configurations have been…
Path-integral approach to the tight-binding polaron is extended to multiple optical phonon modes of arbitrary dispersion and polarization. The non-linear lattice effects are neglected. Only one electron band is considered. The…
Perovskite solar cells with record power conversion efficiency are fabricated by alloying both hybrid and fully inorganic compounds. While the basic electronic properties of the hybrid perovskites are now well understood, key electronic…
The parameter-free computation of charge transport properties of semiconductors is now routine owing to advances in the ab-initio description of the electron-phonon interaction. Many studies focus on the low-field regime in which the…
Numerically "exact" methods addressing the dynamics of coupled electron--phonon systems have been intensively developed. Nevertheless, the corresponding results for the electron mobility $\mu_\mathrm{dc}$ are scarce, even for the…
We analize electrical conductivity controlled by hopping of bound spin polarons in disordered solids with wide distributions of electron energies and polaron shifts (barriers). By means of percolation theory and Monte Carlo simulations we…
In polar semiconductors and oxides, the long-range nature of the electron-phonon (\textit{e}-ph) interaction is a bottleneck to compute charge transport from first principles. Here, we develop an efficient ab initio scheme to compute and…
Understanding the interplay between charge and spin and its effects on transport is a ubiquitous challenge in quantum many-body systems. In the Fermi-Hubbard model, this interplay is thought to give rise to magnetic polarons, whose dynamics…
In this work, we revisit the issue of the nature of electronic transport in nickel oxide (NiO) and show that the widely used model of free small polaron hopping, initially raised to characterize transport in high-purity samples, is not…
Organolead halide perovskites have attracted substantial attention due to their excellent physical properties, which enable them to serve as the active material in emerging hybrid solid-state solar cells. Here we investigate the…
We study the energetics and transport properties of polarons in the quasi-one dimensional electron system over the liquid helium surface. The localization lengths and the energy of the ground and excited states are calculated within the…
Halide perovskite and elpasolite semiconductors are extensively studied for optoelectronic applications due to their excellent performance together with significant chemical and structural flexibility. However, there is still limited…
We investigate the interaction of strongly correlated electrons with phonons in the frame of the Hubbard-Holstein model. The electron-phonon interaction is considered to be strong and is an important parameter of the model besides the…
Investigation of the inherent field-driven charge transport behaviour of 3D lead halide perovskites has largely remained a challenging task, owing primarily to undesirable ionic migration effects near room temperature. In addition, the…
In band-like semiconductors, charge carriers form a thermal energy distribution rapidly after optical excitation. In hybrid lead halide perovskites, the cooling of such thermal carrier distributions occurs on timescales of ~300 fs via…
The relaxation of high-energy "hot" carriers in semiconductors is known to involve the redistribution of energy between (i) hot and cold carriers and (ii) hot carriers and phonons. Over the past few years, these two processes have been…
Exciton-polaritons offer a versatile platform for realization of all-optical integrated logic gates due to the strong effective optical nonlinearity resulting from the exciton-exciton interactions. In most of the current excitonic materials…
The formation of Frohlich polaron in metal halide perovskites, arising from the charge carrierlongitudinal optical (LO) phonon coupling, has been proposed to explain their exceptional properties, but the effective identification of polaron…
Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH3NH3PbI3 with a…
In the present work we calculate the phonon-limited mobility in intrinsic n-type single-layer MoS2 as a function of carrier density and temperature for T > 100 K. Using a first-principles approach for the calculation of the electron-phonon…