TY - JOUR
T1 - Edge effects on optically detected magnetic resonance of vacancy defects in hexagonal boron nitride
AU - Sajid, A.
AU - Thygesen, Kristian S.
AU - Reimers, Jeffrey R.
AU - Ford, Michael J.
N1 - Funding Information:
This work was supported by resources provided by the National Computational Infrastructure (NCI), Pawsey Supercomputing Centre, Australia and funding from the Australian Research Council (DP150103317 and DP160101301). K.S.T. acknowledges funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (Grant Agreement No. 773122, LIMA).
Publisher Copyright:
© 2020, The Author(s).
PY - 2020/8/31
Y1 - 2020/8/31
N2 - The chemical and structural nature of defects responsible for quantum emission in hexagonal boron nitride (h-BN) remain unknown. Optically detected magnetic resonance (ODMR) measured from these defects was reported in two recent papers. In one case, the ODMR was tentatively attributed to the negatively charged boron vacancy, VB−. Here we show how the key optical and magnetic properties vary with location within the bulk and along edges of h-BN sheets for this and the negatively charged nitrogen vacancy, VN−. Sign changes of the axial zero-field interaction parameter D are predicted, as well interchange of singlet and triplet ground states. Based on the latest experimental information, we assign the observed ODMR signal to bulk VB−. The other observed ODMR has some features reminiscent of our calculations for VN− edge defects.
AB - The chemical and structural nature of defects responsible for quantum emission in hexagonal boron nitride (h-BN) remain unknown. Optically detected magnetic resonance (ODMR) measured from these defects was reported in two recent papers. In one case, the ODMR was tentatively attributed to the negatively charged boron vacancy, VB−. Here we show how the key optical and magnetic properties vary with location within the bulk and along edges of h-BN sheets for this and the negatively charged nitrogen vacancy, VN−. Sign changes of the axial zero-field interaction parameter D are predicted, as well interchange of singlet and triplet ground states. Based on the latest experimental information, we assign the observed ODMR signal to bulk VB−. The other observed ODMR has some features reminiscent of our calculations for VN− edge defects.
UR - http://www.scopus.com/inward/record.url?scp=85090005257&partnerID=8YFLogxK
U2 - 10.1038/s42005-020-00416-z
DO - 10.1038/s42005-020-00416-z
M3 - Article
AN - SCOPUS:85090005257
SN - 2399-3650
VL - 3
JO - Communications Physics
JF - Communications Physics
IS - 1
M1 - 153
ER -