Theory of phonon-assisted luminescence in solids: application to hexagonal boron nitride
arXiv:1807.11797 · doi:10.1103/PhysRevB.99.081109
Abstract
In this manuscript we study luminescence of hexagonal boron nitride (hBN) by means of non-equilibrium Green's functions plus time-dependent perturbation theory. We derive a formula for light emission in solids in the limit of a weak excitation that includes perturbatively the contribution of electron-phonon coupling at the first order. This formula is applied to study luminescence in bulk hBN. This material has attracted interest due to its strong luminescence in the ultraviolet [Watanabe et al., Nature Mat. 3, 404(2004)]. The origin of this luminescence has been widely discussed, but only recently has a clear signature of phonon mediated light emission emerged in the experiments [Cassabois et al., Nature Phot. 10, 262(2016)]. By means of our new theoretical approach we provide a clear and full explanation of light emission in hBN.
arXiv comment20 pages, a long version of the manuscript
References in corpus (16)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Hexagonal boron nitride is an indirect bandgap semiconductor
- Yambo: an \textit{ab initio} tool for excited state calculations
- Excitons in boron nitride nanotubes: dimensionality effects
- One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization
- Coupling of excitons and defect states in boron-nitride nanostructures
- Exciton-phonon effects in carbon nanotube optical absorption
- Phonon-assisted optical absorption in silicon from first principles
- Lattice dynamics and electron-phonon coupling calculations using non-diagonal supercells
- Correlation-enhanced electron-phonon coupling: Applications of GW and screened hybrid functional to bismuthates, chloronitrides, and other high Tc superconductors
- Inter- and intra-layer excitons in MoS/WS and MoSe/WSe heterobilayers
- Stochastic approach to phonon-assisted optical absorption
- First-principles approach to excitons in time-resolved and angle-resolved photoemission spectra
- Temperature effects in the band structure of topological insulators
- Direct Observation of the Lowest Indirect Exciton State in the Bulk of Hexagonal Boron Nitride
- Exciton interference in hexagonal boron nitride
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- Solvers for the Hermitian and the pseudo-Hermitian Bethe-Salpeter equation in the Yambo code: Implementation and Performance
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