Research paperComputational DFTTheoreticalComputed PLQuantum Emission from Coupled Spin Pairs in Hexagonal Boron NitrideSong Li, Anton Pershin, Adam GaliarXiv·2024·10.1038/s41563-024-01887-z·arXiv:2408.13515AbstractOptically addressable defect qubits in wide band gap materials are favorable candidates for room temperature quantum information processing. This paper connects the variance in optical spectra, optical lifetimes, and spectral stability of quantum emitters in hexagonal boron nitride to donor-acceptor pairs (DAPs) using ab initio calculations. The work finds that DAPs can exhibit ODMR signal for the acceptor counterpart of the defect pair with S = 1/2 ground state at non-zero magnetic fields depending on the donor partner, and proposes a donor-acceptor pair model and transition mechanism for defect-qubit identification and performance optimization in hBN.Read more
Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.1 propertySimulated Supercell DfthBNStudied MaterialONVBStudied MaterialExpand
CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.5 propertiesSimulated Supercell DfthBNStudied MaterialCBStudied MaterialONVBStudied MaterialExpand
ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.2 propertiesSimulated Supercell DfthBNStudied MaterialONStudied MaterialONVBStudied MaterialExpand
Research paperComputational DFTTheoreticalComputed PLQuantum Emission from Coupled Spin Pairs in Hexagonal Boron NitrideSong Li, Anton Pershin, Adam GaliarXiv·2024·10.1038/s41563-024-01887-z·arXiv:2408.13515AbstractOptically addressable defect qubits in wide band gap materials are favorable candidates for room temperature quantum information processing. This paper connects the variance in optical spectra, optical lifetimes, and spectral stability of quantum emitters in hexagonal boron nitride to donor-acceptor pairs (DAPs) using ab initio calculations. The work finds that DAPs can exhibit ODMR signal for the acceptor counterpart of the defect pair with S = 1/2 ground state at non-zero magnetic fields depending on the donor partner, and proposes a donor-acceptor pair model and transition mechanism for defect-qubit identification and performance optimization in hBN.Read more
Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.1 propertySimulated Supercell DfthBNStudied MaterialONVBStudied MaterialExpand
CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.5 propertiesSimulated Supercell DfthBNStudied MaterialCBStudied MaterialONVBStudied MaterialExpand
ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.2 propertiesSimulated Supercell DfthBNStudied MaterialONStudied MaterialONVBStudied MaterialExpand
Research paperComputational DFTTheoreticalComputed PLQuantum Emission from Coupled Spin Pairs in Hexagonal Boron NitrideSong Li, Anton Pershin, Adam GaliarXiv·2024·10.1038/s41563-024-01887-z·arXiv:2408.13515AbstractOptically addressable defect qubits in wide band gap materials are favorable candidates for room temperature quantum information processing. This paper connects the variance in optical spectra, optical lifetimes, and spectral stability of quantum emitters in hexagonal boron nitride to donor-acceptor pairs (DAPs) using ab initio calculations. The work finds that DAPs can exhibit ODMR signal for the acceptor counterpart of the defect pair with S = 1/2 ground state at non-zero magnetic fields depending on the donor partner, and proposes a donor-acceptor pair model and transition mechanism for defect-qubit identification and performance optimization in hBN.Read more
Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.1 propertySimulated Supercell DfthBNStudied MaterialONVBStudied MaterialExpand
CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.5 propertiesSimulated Supercell DfthBNStudied MaterialCBStudied MaterialONVBStudied MaterialExpand
ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.2 propertiesSimulated Supercell DfthBNStudied MaterialONStudied MaterialONVBStudied MaterialExpand
Research paperComputational DFTTheoreticalComputed PLQuantum Emission from Coupled Spin Pairs in Hexagonal Boron NitrideSong Li, Anton Pershin, Adam GaliarXiv·2024·10.1038/s41563-024-01887-z·arXiv:2408.13515AbstractOptically addressable defect qubits in wide band gap materials are favorable candidates for room temperature quantum information processing. This paper connects the variance in optical spectra, optical lifetimes, and spectral stability of quantum emitters in hexagonal boron nitride to donor-acceptor pairs (DAPs) using ab initio calculations. The work finds that DAPs can exhibit ODMR signal for the acceptor counterpart of the defect pair with S = 1/2 ground state at non-zero magnetic fields depending on the donor partner, and proposes a donor-acceptor pair model and transition mechanism for defect-qubit identification and performance optimization in hBN.Read more
Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.1 propertySimulated Supercell DfthBNStudied MaterialONVBStudied MaterialExpand
CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.5 propertiesSimulated Supercell DfthBNStudied MaterialCBStudied MaterialONVBStudied MaterialExpand
ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.2 propertiesSimulated Supercell DfthBNStudied MaterialONStudied MaterialONVBStudied MaterialExpand
