Speaker: Rohit Babar (SZFI)
Title: Carbon impurities at grain boundaries and Stone-Wales defects in hBN as potential single photon emitters
Date: Thursday, 20 June 2024. 10:00
Place: KFKI Campus, Bldg. 1, 2nd floor Conference room
Summary:
Hexagonal boron nitride (hBN) has emerged as a viable host for point defects with bright, room temperature single photon emission. The large-scale synthesis of hBN often introduces extended defects in addition to the presence of point defects. We carry out density functional theory calculations to investigate carbon impurities combined with topological defects and grain boundaries in hBN. The inclusion of carbon impurities at grain boundaries can resolve energetic B-B and N-N bonds and result in energetically preferable atomic structures. In addition, we find the presence of carbon atoms can give rise to optical transitions in the visible spectral range. Our work sheds light on a new class of defects that may appear at highly strained areas and grain boundaries in hBN, where bright single photon emitters have already been observed.
