Microwave-Assisted Spectroscopy of Vacancy-Related Spin Centers in Hexagonal 
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Shang, Zhongxia; Berencén, Yonder; Hollenbach, Michael; Zhou, Shengqiang; Kraus, Hannes; Ohshima, Takeshi; Астахов, Г. В.

doi:10.1103/physrevapplied.15.034059

Cited by 7 publications

(3 citation statements)

References 40 publications

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“…[33]. We also note that a recent experiment on VV 0 center reported DWFs of 9% and 10% for kk-VV 0 and hk-VV 0 [74], which we consider here to be overestimates, based on our computed and measured spectra. Overall, when using hybrid functionals to compute the GS and ES electronic structure we obtain a good agreement with experiments, with small differences between results for phonons obtained with PBE or hybrid-functionals, provided an extrapolation to the dilute limit is performed.…”

Section: Hostscontrasting

confidence: 40%

Photoluminescence spectra of point defects in semiconductors: validation of first principles calculations

Jin,

Govoni,

Wolfowicz

et al. 2021

Preprint

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Optically and magnetically active point defects in semiconductors are interesting platforms for the development of solid-state quantum technologies. Their optical properties are usually probed by measuring photoluminescence spectra, which provide information on excitation energies and on the interaction of electrons with lattice vibrations. We present a combined computational and experimental study of photoluminescence spectra of defects in diamond and SiC, aimed at assessing the validity of theoretical and numerical approximations used in first principles calculations, including the use of the Franck-Condon principle and the displaced harmonic oscillator approximation. We focus on prototypical examples of solid-state qubits, the divacancy centers in SiC and the nitrogen-vacancy in diamond, and we report computed photoluminescence spectra as a function of temperature that are in very good agreement with the measured ones. As expected we find that the use of hybrid functionals leads to more accurate results than semilocal functionals. Interestingly our calculations show that constrained density functional theory (CDFT) and time-dependent hybrid DFT perform equally well in describing the excited state potential energy surface of triplet states; our findings indicate that CDFT, a relatively cheap computational approach, is sufficiently accurate for the calculations of photoluminescence spectra of the defects studied here. Finally, we find that only by correcting for finite-size effects and extrapolating to the dilute limit, one can obtain a good agreement between theory and experiment. Our results provide a detailed validation protocol of first principles calculations of photoluminescence spectra, necessary both for the interpretation of experiments and for robust predictions of the electronic properties of point defects in semiconductors.I.

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Section: Hostscontrasting

confidence: 40%

Photoluminescence spectra of point defects in semiconductors: validation of first principles calculations

Jin,

Govoni,

Wolfowicz

et al. 2021

Preprint

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“…This polarity is unlike the defects in diamond and SiC that show a consistent ODMR sign for a given optical defect whether probed as a single or on the ensemble level. In SiC the 4H and 6H polytypes contain multiple optical defects that have spectrally indistinguishable ZPLs at room temperature, yet display zero-field ODMR contrast at different microwave frequencies and with different sign 53,54 . For the two defects shown in Fig.…”

Section: Discussionmentioning

confidence: 99%

Room-temperature optically detected magnetic resonance of single defects in hexagonal boron nitride

et al. 2022

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Optically addressable solid-state spins are important platforms for quantum technologies, such as repeaters and sensors. Spins in two-dimensional materials offer an advantage, as the reduced dimensionality enables feasible on-chip integration into devices. Here, we report room-temperature optically detected magnetic resonance (ODMR) from single carbon-related defects in hexagonal boron nitride with up to 100 times stronger contrast than the ensemble average. We identify two distinct bunching timescales in the second-order intensity-correlation measurements for ODMR-active defects, but only one for those without an ODMR response. We also observe either positive or negative ODMR signal for each defect. Based on kinematic models, we relate this bipolarity to highly tuneable internal optical rates. Finally, we resolve an ODMR fine structure in the form of an angle-dependent doublet resonance, indicative of weak but finite zero-field splitting. Our results offer a promising route towards realising a room-temperature spin-photon quantum interface in hexagonal boron nitride.

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“…At room temperature, the emission from the different V Si centers overlap spectrally and it is not possible to distinguish between them. To separate spectral contributions from the different V Si centers, we the microwave (MW) assisted spectroscopy [32]. Figure 2(c) and (d) present ODMR spectra with a peak at 28 MHz corresponding to the V3 (probably also V1) V Si centers and a negative peak at 128 MHz corresponding to the V2 V Si center [9].…”

Section: Inverted Excited-state Structure a Pl Polarizationmentioning

confidence: 99%

Inverted fine structure of a 6H-SiC qubit enabling robust spin-photon interface

D.¹,

Shang²,

Poshakinskiy³

et al. 2021

Preprint

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Microwave-Assisted Spectroscopy of Vacancy-Related Spin Centers in Hexagonal SiC

Cited by 7 publications

References 40 publications

Photoluminescence spectra of point defects in semiconductors: validation of first principles calculations

Photoluminescence spectra of point defects in semiconductors: validation of first principles calculations

Room-temperature optically detected magnetic resonance of single defects in hexagonal boron nitride

Inverted fine structure of a 6H-SiC qubit enabling robust spin-photon interface

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