Related papers: First Principles Excitons in Periodic Systems with…
Optical processes in insulators and semiconductors, including excitonic effects, can be described in principle exactly using time-dependent density-functional theory (TDDFT). Starting from a linearization of the TDDFT semiconductor Bloch…
Exciton-phonon interactions play a fundamental role in phonon-assisted radiative recombination and exciton dynamics in solids. In this work, we present a first-principles framework for computing phonon-assisted radiative lifetimes and…
Semiconducting MXenes are an intriguing two-dimensional (2D) material class with promising electronic and optoelectronic properties. Here, we focused on recently prepared Hf-based MXenes, namely Hf$_3$C$_2$O$_2$ and Hf$_2$CO$_2$. Using the…
Excitonic effects in solids can be calculated using the Bethe-Salpeter equation (BSE) or the Casida equation of time-dependent density-functional theory (TDDFT). In both methods, the Tamm-Dancoff approximation (TDA), which decouples…
An ab initio approach to the calculation of excitonic effects in the optical absorption spectra of semiconductors and insulators is formulated. It starts from a quasiparticle bandstructure calculation and is based on the relevant…
Exciton-exciton annihilation (EEA), in which two excitons interact to generate high-energy excitations, is an important non-radiative channel in light-induced excited-state relaxation. When efficient, this process offers an alternative…
Using first principles many-body theory methods (GW+BSE) we demonstrate that optical properties of graphane are dominated by localized charge-transfer excitations governed by enhanced electron correlations in a two-dimensional dielectric…
An exciton theory for quasi-one dimensional organic materials is developed in the framework of the Su-Schrieffer-Heeger Hamiltonian augmented by short range extended Hubbard interactions. Within a strong electron-electron correlation…
Understanding and controlling the way excitons propagate in solids is a key for tailoring materials with improved optoelectronic properties. A fundamental step in this direction is the determination of the exciton energy-momentum…
Excitons are bosonic quasiparticles with a variety of applications in optoelectronics, photosyn thesis, and dissipationless informatics, and their lifetime can become sufficiently long to form a quantum condensate. While exciton…
Presence of bound pairs (excitons) in a low-temperature electron-hole plasma is accounted for by including correlation between fermions at the ladder level. Using a simplified one-dimensional model with on-site Coulomb interaction, we…
Bound electron-hole excitonic states are generally not expected to form with charges of negative effective mass. We identify such excitons in a single layer of the semiconductor WSe2, where they give rise to narrow-band upconverted…
Lead iodide perovskites have attracted considerable interest in the upcoming photovoltaic technologies and optoelectronic devices. Therefore, an accurate theoretical description of the electronic and optical properties especially to…
In this letter we report a thorough analysis of the exciton dispersion in bulk hexagonal boron nitride. We solve the ab initio GW Bethe-Salpeter equation at finite $\mathbf{q}\parallel \Gamma K$, and we compare our results with recent…
The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating information from density functional theory, has already been demonstrated for the optical…
We present calculations of the absorption spectrum of semiconductors and insulators comparing various approaches: (i) the two-particle Bethe-Salpeter equation of Many-Body Perturbation Theory; (ii) time-dependent density-functional theory…
The ultrafast conversion of coherent excitons into incoherent excitons, as well as the subsequent exciton diffusion and thermalization, are central topics in current scientific research due to their relevance in optoelectronics,…
The nonlocal correlation mechanism between excitonic pairs is considered for a two dimensional exciton system. On the base of the unitary decomposition of the usual electron operator, we include the electron phase degrees of freedom into…
Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as transition metal dichalcogenides moir\'e heterostructures under…
The crossover between low and high density regimes of exciton-polariton condensates is examined using a BCS wavefunction approach. Our approach is an extension of the BEC-BCS crossover theory for excitons, but includes a cavity photon…