Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Song Li; Anton Pershin; Adam Gali

doi:10.1038/s41563-024-01887-z

Paper details

Research paper

Computational DFTTheoreticalComputed PL

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Song Li, Anton Pershin, Adam Gali

arXiv·2024·10.1038/s41563-024-01887-z·arXiv:2408.13515

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

1 property

Simulated Supercell DfthBNStudied MaterialO_NV_BStudied Material

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

5 properties

Simulated Supercell DfthBNStudied MaterialC_BStudied MaterialO_NV_BStudied Material

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

2 properties

Simulated Supercell DfthBNStudied MaterialO_NStudied MaterialO_NV_BStudied Material

Materials

hexagonal boron nitride

hBN

Studied Material

Also known as

hBNhexagonal boron nitride

studied material

carbon substituting boron defect

C_B

Studied Material

Why these are connected

Related documents with shared materials, methods, properties, or citations.

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Calculated Pl Peak	bright ZPL (CB₁)	3.7eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL (CB₂)	3.9eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	converged bright ZPL	1.97eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL upper bound (except ON₁)	2.23eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	dim state energy threshold	2.89eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	charge-transition-level difference	1.27eV	hBN O_NV_B	Isolated negatively charged ONVB defect in hBN used as the r	—
Calculated Pl Peak	transition dipole moment	0.12Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	transition dipole moment	0.16Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—

Properties

Type	Label	Value	Material	Sample	Source
Calculated Pl Peak	bright ZPL (CB₁)	3.7eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL (CB₂)	3.9eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	converged bright ZPL	1.97eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL upper bound (except ON₁)	2.23eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	dim state energy threshold	2.89eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	charge-transition-level difference	1.27eV	hBN O_NV_B	Isolated negatively charged ONVB defect in hBN used as the r	—
Calculated Pl Peak	transition dipole moment	0.12Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	transition dipole moment	0.16Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—

Properties

Type	Label	Value	Material	Sample	Source
Calculated Pl Peak	bright ZPL (CB₁)	3.7eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL (CB₂)	3.9eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	converged bright ZPL	1.97eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL upper bound (except ON₁)	2.23eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	dim state energy threshold	2.89eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	charge-transition-level difference	1.27eV	hBN O_NV_B	Isolated negatively charged ONVB defect in hBN used as the r	—
Calculated Pl Peak	transition dipole moment	0.12Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	transition dipole moment	0.16Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—

Properties

Type	Label	Value	Material	Sample	Source
Calculated Pl Peak	bright ZPL (CB₁)	3.7eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL (CB₂)	3.9eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	converged bright ZPL	1.97eV	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	bright ZPL upper bound (except ON₁)	2.23eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	dim state energy threshold	2.89eV	hBN O_N O_NV_B	ON-ONVB donor-acceptor pair in hBN, with oxygen substituting	—
Calculated Pl Peak	charge-transition-level difference	1.27eV	hBN O_NV_B	Isolated negatively charged ONVB defect in hBN used as the r	—
Calculated Pl Peak	transition dipole moment	0.12Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—
Calculated Pl Peak	transition dipole moment	0.16Debye	hBN C_B O_NV_B	CB-ONVB donor-acceptor pair in hBN, with carbon substituting	—

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Quantum Emission from Coupled Spin Pairs in Hexagonal Boron Nitride

Samples

Isolated negatively charged ONVB defect in hBN used as the reference acceptor center.

CB-ONVB donor-acceptor pair in hBN, with carbon substituting boron at short separation from ONVB.

ON-ONVB donor-acceptor pair in hBN, with oxygen substituting nitrogen near ONVB at short separation from the acceptor.

Materials

Why these are connected

Properties

Simulations

Properties

Simulations

Properties

Simulations

Properties

Simulations