Madridge Journal of Nanotechnology & Nanoscience

ISSN: 2638-2075

3rd International Nanotechnology Conference & Expo
May 7-9, 2018, Rome, Italy

Defect States in Hexagonal Boron Nitride: Assignments of Observed Properties and Prediction of Properties Relevant to Quantum Computation

A. Sajid1,2*, Jeffrey R. Reimers1 and Michael J. Ford1

1School of Mathematical and Physical Sciences, University of Technology Sydney, Australia
2Department of Physics, GC University Faisalabad, Pakistan

DOI: 10.18689/2638-2075.a3.004

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Key properties of 9 possible defect sites in hexagonal boronitride (h-BN), VN, VN-1, CN, VNO2B, VNNB, VNCB, VBCN, VBCNSiN, and VNCBSiB, are predicted using density-functional theory (DFT) corrected applying results from high-level ab initio calculations. Observed h-BN electron-paramagnetic resonance (EPR) signals at 22.4 MHz, 20.83 MHz, and 352.70 MHz are assigned to VN, CN, and VNO2B, respectively, while the observed photoemission at 1.95 eV is assigned to VNCB. Detailed consideration of the available excited states, allowed spin-orbit couplings, zero-field splitting, and optical transitions is made for somewhat analogous defects VNCB and VBCN. Long-living quantum memory in h-BN can be achieved for VNCBN owing to the lifetime differences of first and second order transitions from different triplet sub-states to the singlet ground state as is seen for N2V defect in diamond. While VBCN is predicted to have a triplet ground state, and for it spin-polarization by optical means is predicted to be feasible while suitable optical excitations are also identified, making this defect of interest for possible quantum-qubit operations.

Sajid Ali is a 3rd year PhD student at University of Technology Sydney, Ultimo, New South Wales 2007, Australia. He is also a lecturer in physics at GC University Faisalabad, Pakistan. He has over 15 publications that have been cited over 100 times.