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We have developed a multi-scale model for organic-inorganic hybrid perovskites (HPs) that applies quantum mechanical (QM) calculations of small HP supercell models to large coarse-grained structures. With a mixed quantum-classical hopping…
The acoustic phonons in the organic-inorganic lead halide perovskites have been reported to have anomalously short lifetimes over a large part of the Brillouin zone. The resulting shortened mean free paths of the phonons have been…
The microscopic origin of slow carrier cooling in lead-halide perovskites remains debated, and has direct implications for applications. Slow carrier cooling has been attributed to either polaron formation or a hot-phonon bottleneck effect…
Halide perovskites are a promising class of materials for optoelectronic and photovoltaic applications, exhibiting high power conversion efficiency due to strong light absorption and long carrier diffusion lengths. While various aspects of…
The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and thermomechanical and thermoelectric properties of materials. Here, we present general…
Indium iodides, which adopt layered or molecular-crystal-like arrangements depending on composition, are expected to exhibit low lattice thermal conductivity because of their heavy constituent atoms and weak In-I bonding. In this work, we…
Recent advances in cavity-optomechanics have now made it possible to use light not just as a passive measuring device of mechanical motion, but also to manipulate the motion of mechanical objects down to the level of individual quanta of…
Metal halide perovskites have shown great performance as solar energy materials, but their outstanding optoelectronic properties are paired with unusually strong anharmonic effects. It has been proposed that this intriguing combination of…
The interplay of the electron-phonon interaction and of the double and super exchange magnetic effects is analyzed in the $La_{1-x}Ca_xMnO_3$ perovskites with $0<x<0.5$. By using an analytical variational scheme that allows to treat the…
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…
The mobility of electrons and holes in silicon depends on many parameters. Two of them are the electric field and the temperature. It has been observed previously that the mobility in the transition region between ohmic transport and…
For the intrinsic carriers of MAPbBr$_{3}$, the temperature $T$ dependent mobility $\mu(T)$ of behaves like $\mu\propto T^{-1/2}$ in piezoelectric tetragonal phase, $\mu\propto T^{-1.4}$ in non-piezoelectric cubic phase. But for the…
Predicting and explaining charge carrier transport in halide perovskites is a formidable challenge because of the unusual vibrational and electron-phonon coupling properties of these materials. This study explores charge carrier transport…
Excitation localization involving dynamic nanoscale distortions is a central aspect of photocatalysis, quantum materials and molecular optoelectronics. Experimental characterization of such distortions requires techniques sensitive to the…
Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition metal dichalcogenides MX$_2$ (M=Mo,W; X=S,Se) based on a density functional theory formalism. Due to their structural similarities, all four materials…
Organolead trihalide perovskites have drawn substantial interest for applications in photovoltaic and optoelectronic devices due to their low processing cost and remarkable physical properties. However, perovskite thin films still suffer…
Metal halide perovskites make up a promising class of materials for semiconductor spintronics. Here we report a systematic investigation of coherent spin precession, spin dephasing and spin relaxation of electrons and holes in two hybrid…
Vacancy-ordered halide double perovskites Cs$_2BX_6$ have recently attracted significant attention due to their intrinsically ultralow lattice thermal conductivity ($\kappa_{\mathrm{L}}$), which is highly desirable for thermal insulation…
Recently we proposed that defect tolerance in the hybrid perovskites is due to their characteristic low-frequency lattice phonon modes that decrease the non-adiabatic coupling and weaken the overlap between the free carrier and defect…
Temperature dependent (4K-300K) photoluminescence and transmission spectra are analyzed to study the effect of changing the different components of a perovskite compound, be it A, B, or X. Four different films are compared: FAMAPbSnI3,…