Coupling of excitons and defect states in boron-nitride nanostructures

Details Coupling of excitons and defect states in boron-nitride nanostructures Coupling of excitons and defect states in boron-nitride nanostructures

2011-03-14

arxiv.org/abs/1103.2628v1

Phys. Rev. B 83, 144115 (2011)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

in press on Phys. Rev. B

Scientific paper

10.1103/PhysRevB.83.144115

The signature of defects in the optical spectra of hexagonal boron nitride (BN) is investigated using many body perturbation theory. A single BN-sheet serves as a model for different layered BN- nanostructures and crystals. In the sheet we embed prototypical defects such as a substitutional impurity, isolated Boron and Nitrogen vacancies, and the di-vacancy. Transitions between the deep defect levels and extended states produce characteristic excitation bands that should be responsible for the emission band around 4 eV, observed in luminescence experiments. In addition, defect bound excitons occur that are consistently treated in our ab initio approach along with the "free" exciton. For defects in strong concentration, the co-existence of both bound and free excitons adds sub-structure to the main exciton peak and provides an explanation for the corresponding feature in cathodo and photo-luminescence spectra.

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