Predicting exciton binding energies from ground-state properties
We systematically investigate the correlations between exciton binding energies and various
easily calculated ground-state properties (“predictors”) that have been proposed to correlate …
easily calculated ground-state properties (“predictors”) that have been proposed to correlate …
Rearrangement collision theory of phonon-driven exciton dissociation
Understanding the processes governing the dissociation of excitons to free charge carriers
in semiconductors and insulators is of central importance for photovoltaic applications …
in semiconductors and insulators is of central importance for photovoltaic applications …
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory
We present a theoretical study of the formation of self-trapped excitons (STEs) and the
associated broadband emission in metal–halide perovskites Cs4SnBr6 and Cs2AgInCl6 …
associated broadband emission in metal–halide perovskites Cs4SnBr6 and Cs2AgInCl6 …
Physical origin and control of exciton spatial localization in high-κ MOene monolayers under external perturbations
Abstract Two-dimensional (2D) materials hold great promise for the next-generation
optoelectronics applications, many of which, including solar cell, rely on the efficient …
optoelectronics applications, many of which, including solar cell, rely on the efficient …
Phonon-mediated renormalization of exciton energies and absorption spectra in polar semiconductors
We investigate the influence of vibrational screening on the excitonic and optical properties
of solids based on first-principles electronic-structure calculations. We solve the Bethe …
of solids based on first-principles electronic-structure calculations. We solve the Bethe …
Phonon screening of excitons in atomically thin semiconductors
Atomically thin semiconductors, encompassing both 2D materials and quantum wells,
exhibit a pronounced enhancement of excitonic effects due to geometric confinement …
exhibit a pronounced enhancement of excitonic effects due to geometric confinement …
Theory of ab initio downfolding with arbitrary range electron-phonon coupling
Ab initio downfolding describes the electronic structure of materials within a low-energy
subspace, often around the Fermi level. Typically starting from mean-field calculations, this …
subspace, often around the Fermi level. Typically starting from mean-field calculations, this …