Comprehensive scheme for identifying defects in solid-state quantum systems

Abstract

A solid-state quantum emitter is one of the indispensable components for optical quantum technologies. Ideally, an emitter should have a compatible wavelength for efficient coupling to other components in a quantum network. It is therefore essential to understand fluorescent defects that lead to specific emitters. In this work, we employ density functional theory (DFT) to demonstrate the calculation of the complete optical fingerprints of quantum emitters in the two-dimensional material hexagonal boron nitride. These emitters are of great interest, yet many of them are still to be identified. Our results suggest that instead of comparing a single optical property, such as the commonly used zero-phonon line energy, multiple properties should be used when comparing theoretical simulations to the experiment. This way, the entire electronic structure can be predicted and quantum emitters can be designed and tailored. Moreover, we apply this approach to predict the suitability for using the emitters in specific quantum applications, demonstrating through the examples of the Al${}_{\text{N}}$ and P${}_{\text{N}}$V${}_{\text{B}}$ defects. We therefore combine and apply DFT calculations to identify quantum emitters in solid-state crystals with a lower risk of misassignments as well as a way to design and tailor optical quantum systems. This consequently serves as a recipe for classification and the generation of universal solid-state quantum emitter systems in future hybrid quantum networks.

arXiv comment10 pages, 4 figures

References in corpus (27)

• Optical Quantum Computing
• First-principles theory of nonradiative carrier capture via multiphonon emission
• Identifying Carbon as the Source of Visible Single Photon Emission from Hexagonal Boron Nitride
• First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centre
• Color centers in hexagonal boron nitride monolayers: A group theory and ab-initio analysis
• Optical Signatures of Quantum Emitters in Suspended Hexagonal Boron Nitride
• Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation
• Radiation tolerance of two-dimensional material-based devices for space applications
• All-optical formation of coherent dark states of silicon-vacancy spins in diamond
• Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride
• Optical absorption and emission mechanisms of single defects in hexagonal boron nitride
• Fabrication and deterministic transfer of high quality quantum emitter in hexagonal boron nitride
• Nonrad: Computing Nonradiative Capture Coefficients from First Principles
• First-principles identification of single photon emitters based on carbon clusters in hexagonal boron nitride
• Narrowband quantum emitters over large spectral range with Fourier-limited linewidth in hexagonal boron nitride
• Photoluminescence and photochemistry of the $V_B^{-}$ defect in hexagonal boron nitride
• Towards $\text{ab initio}$ identification of paramagnetic substitutional carbon defects in hexagonal boron nitride acting as quantum bits
• Room temperature single-photon emitters in silicon nitride
• Understanding and calibrating Density-Functional-Theory calculations describing the energy and spectroscopy of defect sites in hexagonal boron nitride
• Approaching optimal entangling collective measurements on quantum computing platforms
• Atomic Localization of Quantum Emitters in Multilayer Hexagonal Boron Nitride
• Localized creation of yellow single photon emitting carbon complexes in hexagonal boron nitride
• Tailoring the Emission Wavelength of Color Centers in Hexagonal Boron Nitride for Quantum Applications
• Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles
• An ultrastable and robust single-photon emitter in hexagonal boron nitride
• Theoretical polarization of zero phonon lines in point defects
• Possible nanophotonics applications of the $V_N{N}_B$ defect in hexagonal boron nitride

Cited by in corpus (10)

• The hBN defects database: a theoretical compilation of color centers in hexagonal boron nitride
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• Polarization dynamics of solid-state quantum emitters
• Identifying electronic transitions of defects in hexagonal boron nitride for quantum memories
• Comparative study of quantum emitter fabrication in wide bandgap materials using localized electron irradiation
• Modeling the performance and bandwidth of single-atom adiabatic quantum memories
• Advancing the hBN Defects Database through Photophysical Characterization of Bulk hBN
• Efficient Light Propagation Algorithm using Quantum Computers
• Temperature-Dependent Emission Spectroscopy of Quantum Emitters in Hexagonal Boron Nitride
• Nuclear Spin-Mediated Relaxation Mechanisms of the V${}_B^{-}$ Center in hBN