Dresden 2020 – scientific programme

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O: Fachverband Oberflächenphysik

O 14: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions II (joint session O/CPP/DS/HL)

O 14.10: Talk

Monday, March 16, 2020, 17:15–17:30, GER 38

Using the powerful electronic structure theory to identify single photon emitters in h-BN. — •Sajid Ali — CAMD, Department of Physics, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark

In recent years two-dimensional Van Der Walls material h-BN have gained a considerable interest due to the discovery of single photon emission (in both visible and UV region) from the colour centres in this material. This emission is bright, owing to the natural proximity of the centres to the surface, showing promise for high quantum efficiency applications, linearly polarized and strain tuneable. However, the exact chemical nature of the emitting centres is still unknown.

Here, we have performed first principle calculations to obtain observables that can be directly compared with electron paramagnetic resonance (EPR), Optically Detected Magnetic Resonance (ODMR), photoluminescence spectroscopy (PL) and Raman spectroscopy techniques performed on these h-BN emitters. We identify, based on the comparison of our calculations with the experimental data, the defect centres responsible for single photon emission from hexagonal boron nitride.