# Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules

@article{Chen2019AbI, title={Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules}, author={Hsiao-Yi Chen and Vatsal A. Jhalani and Maurizia Palummo and Marco Bernardi}, journal={Physical Review B}, year={2019} }

Excitons are bound electron-hole pairs that dominate the optical response of semiconductors and insulators, especially in materials where the Coulomb interaction is weakly screened. Light absorption (including excitonic effects) has been studied extensively using first-principles calculations, but methods for computing radiative recombination and light emission are still in their infancy. Here we show a unified ab initio approach to compute exciton radiative recombination in materials ranging…

## 20 Citations

### Optical emission from light-like and particle-like excitons in monolayer transition metal dichalcogenides

- PhysicsPhysical Review B
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Several monolayer transition metal dichalcogenides (TMDs) are direct band gap semiconductors and potentially efficient emitters in light emitting devices. Photons are emitted when strongly bound…

### First-Principles Exciton Radiative Lifetimes in Wurtzite GaN

- Physics
- 2019

Gallium nitride (GaN) is a key semiconductor for solid-state lighting, but its radiative processes are not fully understood. Here we show a first-principles approach to accurately compute the…

### Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride

- PhysicsJournal of physics. Condensed matter : an Institute of Physics journal
- 2019

A first-principles approach to accurately compute the radiative lifetimes in bulk uniaxial crystals, focusing on wurtzite GaN, shows that taking into account excitons and spin-orbit coupling to include the exciton fine structure is essential for computing accurate radiativelifetimes.

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- PhysicsRSC advances
- 2020

Through first-principles calculations combining many-body perturbation theory, we investigate electron–phonon scattering and optical properties including the excitonic effects of T-carbon. Our…

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- 2021

### Ab initio modeling of phonon-assisted relaxation of electrons and excitons in semiconductor nanocrystals for multiexciton generation

- Physics
- 2020

Electron-phonon and exciton-phonon interactions in nanoclusters are formulated and computed under the framework of GW-BSE (Bethe-Salpeter equation) approach. The phonon effect is modeled with the…

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- 2021

Point defects in hexagonal boron nitride (hBN) have attracted growing attention as bright single-photon emitters. However, understanding of their atomic structure and radiative properties remains…

### Exciton absorption, band structure, and optical emission in biased bilayer graphene

- PhysicsPhysical Review B
- 2022

Biased bilayer graphene (BBG) is a variable band gap semiconductor, with a strongly fielddependent band gap of up to 300 meV, making it of particular interest for graphene-based nanoelectronic and…

### Signatures of Dimensionality and Symmetry in Exciton Band Structure: Consequences for Exciton Dynamics and Transport

- PhysicsNano letters
- 2021

It is revealed that the discontinuities in the band structure lead to ultrafast ballistic transport and suggesting that measured exciton diffusion and dynamics are influenced by the underlying exciton dispersion.

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