Vibrational signatures for the identification of single-photon emitters in hexagonal boron nitride

Abstract

Color centers in h-BN are among the brightest emission centers known yet the origins of these emission centers are not well understood. Here, using first-principles calculations in combination with the generating function method, we systematically elucidate the coupling of specific defects to the vibrational degrees of freedom. We show that the lineshape of many defects exhibits strong coupling to high frequency phonon modes and that C${}_{\text{N}}$, C${}_{\text{B}}$, C${}_{\text{B}}$-C${}_{\text{N}}$ dimer and V${}_{\text{B}}$ can be associated with experimental lineshapes. Our detailed theoretical study serves as a guide to identify optically active defects in h-BN that can suit specific applications in photonic-based quantum technologies, such as single photon emitters, hybrid spin-photon interfaces, or spin-mechanics interfaces.

14 pages, 9 figures

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• Photonic quantum technologies
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Cited by in corpus (12)

• Towards $\text{ab initio}$ identification of paramagnetic substitutional carbon defects in hexagonal boron nitride acting as quantum bits
• Band gap measurements of monolayer h-BN and insights into carbon-related point defects
• Photoluminescence spectra of point defects in semiconductors: validation of first principles calculations
• Quantum embedding methods for correlated excited states of point defects: Case studies and challenges
• Tailoring the Emission Wavelength of Color Centers in Hexagonal Boron Nitride for Quantum Applications
• Room-Temperature High-Purity Single Photon Emission from Carbon-Doped Boron Nitride Thin Films
• A First-Principles Explanation of the Luminescent Line Shape of SrLiAl${}_3$N${}_4$:Eu${}^{2+}$ Phosphor for Light-Emitting Diode Applications
• Stimulated emission depletion spectroscopy of color centers in hexagonal boron nitride
• Optical line shapes of color centers in solids from classical autocorrelation functions
• Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis
• Quantifying the creation of negatively charged boron vacancies in He-ion irradiated hexagonal boron nitride
• A charge transfer mechanism for optically addressable solid-state spin pairs