2023
DOI: 10.1021/acs.jpclett.3c01475
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Comprehensive Scheme for Identifying Defects in Solid-State Quantum Systems

Abstract: A solid-state quantum emitter is a crucial component for optical quantum technologies, ideally with a compatible wavelength for efficient coupling to other components in a quantum network. It is essential to understand fluorescent defects that lead to specific emitters. In this Letter, we employ density functional theory (DFT) to demonstrate the calculations of the complete optical fingerprints of quantum emitters in hexagonal boron nitride. Our results suggest that instead of comparing a single optical proper… Show more

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Cited by 11 publications
(15 citation statements)
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“…While in this work we had a large variation in the observed polarization angles to undoubtedly identify the emitter, we were able to narrow down potential defect candidates. When this was done together with other photophysical properties such as emission spectrum, this led to a convincing case for the proposed atomic structure to be responsible for the 2 eV quantum emitter in hBN . This could also provide an approach to address the atomic structures of fluorescent defects in other materials systems, such as TMDs, ,, silicon carbide, and silicon …”
Section: Discussionmentioning
confidence: 96%
“…While in this work we had a large variation in the observed polarization angles to undoubtedly identify the emitter, we were able to narrow down potential defect candidates. When this was done together with other photophysical properties such as emission spectrum, this led to a convincing case for the proposed atomic structure to be responsible for the 2 eV quantum emitter in hBN . This could also provide an approach to address the atomic structures of fluorescent defects in other materials systems, such as TMDs, ,, silicon carbide, and silicon …”
Section: Discussionmentioning
confidence: 96%
“…While at z = 0 the total error can be reduced with the inverse of the square root of N s to an arbitrarily low value, a minimal error is evident for all z > 0. For all investigated distances this likely occurs in our simulation at » N 10 s max , 6 . As a complete reconstruction of the absolute value of the wavefunction by means of sampling does not appear to be a suitable mode of operation for a quantum simulator anyway, a more systematic investigation of this boundary is not undertaken.…”
Section: Simulated Interference Pattern and Error Analysismentioning
confidence: 54%
“…, where the control and target qubits are respectively the l-th and j-th qubits. Note that the phases that each phase gate or controlled phase gate apply correspond to the coefficients in the two's-complement decomposition in equation (6). The matrix representation of these gates can be seen in Supplementary Material S2.…”
Section: Initialization: We Represent the Initial Wavefunction ( )mentioning
confidence: 99%
“…In addition, the PL line shape is not enough as a fingerprint of a specific defect, although the same line shape indicates that these defects may have the same point group symmetry and electron–phonon couplings, which correspond to the same phonon sideband (PSB). In fact, the complete fingerprints of color centers in solid wide-band-gap materials mainly includethe ZPL, PSB, Huang–Rhys factor, radiative lifetime, zero-field-splitting (ZFS), and hyperfine (HF) coupling constants, and these fingerprint parameters can be evaluated by experiments and DFT calculations. ,, For instance, the atomic structure of the V B –1 ensemble in the hBN flake has been successfully identified by DFT calculations combined with PL and ODMR experiments. , However, only a few color centers in hBN or silicon carbide and diamond have spin triplet states ( S ≥ 1) and hyperfine structure, which can be identified by ODMR spectra that are related to the ZFS and HF constants. At present, apart from the V B –1 ensemble in the hBN flake, the atomic structures of the other luminescence defects or quantum emitters in hBN are speculative based on the DFT calculations and PL spectra.…”
Section: Resultsmentioning
confidence: 99%