相关论文: Non-hydrogenic excitons in perovskite CH$_3$NH$_3$…
We study the light-absorbing states of the mixed-halide perovskite CH$_{3}$NH$_{3}$PbI$_2$Cl and tri-iodide perovskite CH$_{3}$NH$_{3}$PbI$_3$ with density functional and many-body calculations to explain the desirable photovolatic features…
Accurate determination of the exciton binding energy and reduced effective mass in halide perovskites is of utmost importance for the selective design of optoelectronic devices. Although these properties are currently determined by several…
Solar cells incorporating organic-inorganic perovskite, which may be fabricated using low-cost solution-based processing, have witnessed a dramatic rise in efficiencies yet their fundamental photophysical properties are not well understood.…
We theoretically investigate lead iodide perovskites of general formula APbI$_3$ for a series of metallic cations (namely Cs$^+$, Rb$^+$, K$^+$, Na$^+$ and Li$^+$) by means of the density functional theory, GW method and Bethe-Salpeter…
The development of high efficiency perovskite solar cells has sparked a multitude of measurements on the optical properties of these materials. For the most studied methylammonium(MA)PbI$_3$ perovskite, a large range (6-55 meV) of exciton…
Hybrid organic-inorganic perovskites, such as methyl-ammonium lead tri-iodide (MAPbI$_3$), are interesting candidates for efficient absorber materials in next-generation solar cells, partly due to an unusual combination of low exciton…
Using transient fluorescent spectra at time-zero, we develop a density-resolved fluorescent spectroscopic method for investigating photoproducts in CH3NH3PbI3 perovskite and related photophysics. The density dependent dynamical co-existence…
Exciton Bohr radius (a_B) and exciton binding energy (E_b) of metal halide perovskites are two prime quantities in their applications to both light-emitting diode displays and photovoltaic devices. We develop a reliable theoretical method…
We elucidate the nature of the electron-phonon interaction in the archetypal hybrid perovskite CH$_3$NH$_3$PbI$_3$ using ab initio many-body calculations and an exactly solvable model. We demonstrate that electrons and holes near the band…
Chalcogenide perovskites have emerged as non-toxic and stable photovoltaic materials, acting as an alternative to lead halide hybrid perovskites having similar optoelectronic properties. In the present work, we report the electronic and…
Antiperovskite derivatives have emerged as promising candidates for optoelectronic applications. However, due to the significant computational cost, their excitonic and polaronic properties remain underexplored despite being critical for…
Exciton-phonon interactions govern the energy level spectrum and thus the optical response in semiconductors. In this respect, lead-halide perovskite nanocrystals represent a unique system, for which the interaction with optical phonons is…
We present a detailed many-body ab initio study of the valence-skipper RbTlCl$_{3}$ perovskite compound for photovoltaic (PV) applications. The electronic and optical properties, both with and without spin-orbit coupling, have been…
Atomistically detailed computational studies of nanocrystals, such as those derived from the promising lead-halide perovskites, are challenging due to the large number of atoms and lack of symmetries to exploit. Here, focusing on…
A theoretical model for excitons confined in layered metal halide perovskites is presented. The model accounts for polaronic effects, dielectric and quantum confinement by means of effective mass theory, image charges and Haken potentials.…
In a combined theoretical and experimental work, we investigate X-ray Absorption Near-Edge Structure (XANES) spectroscopy of the I $L_3$ and the Pb $M_5$ edges of the methylammonium lead iodide ($\textrm{MAPbI}_3$) hybrid inorganic-organic…
We investigate the electron-phonon coupling in CH3NH3PbX3 lead halide perovskites through the observation of Landau levels and high-order excitons at weak magnetic fields, where the cyclotron energy is significantly smaller than the…
In the development of highly efficient photovoltaic cells, solid perovskite systems have demonstrated unprecedented promise, with the figure of merit exceeding nineteen percent of efficiency. In this paper, we investigate the optical and…
Lead halide perovskites show remarkable performance when used in photovoltaic and optoelectronic devices. However, the peculiarities of light-matter interactions in these materials in general are far from being fully explored experimentally…
We investigate numerically the impact of the electron-phonon scattering on the optical properties of a perovskite material (CH3NH3PbI3). Using non-equilibrium Green functions formalism, we calculate the local density-of-states for several…