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 and group theoretical study of properties of a carbon trimer defect in hexagonal boron nitride

Golami, Omid; Sharman, Kenneth; Ghobadi, Roohollah; Wein, Stephen C.; Zadeh-Haghighi, Hadi; Rocha, C. G.; Salahub, Dennis R.; Simon, Christoph

doi:10.1103/physrevb.105.184101

Cited by 15 publications

(14 citation statements)

References 61 publications

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“…Because both defects have normalC2v symmetry, the states that the single electron orbitals can take on can transform like false(A1,A2,B1,B2false). These are all orbital singlets, and thus the orbital angular momentum, L, is zero for these states [67,68]. As a result, the spin–orbit coupling which is proportional to L⋅S is zero.…”

Section: Resultsmentioning

confidence: 99%

Rare isotope-containing diamond colour centres for fundamental symmetry tests

Morris,

Klink,

Singh

et al. 2023

Phil. Trans. R. Soc. A.

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Detecting a non-zero electric dipole moment in a particle would unambiguously signify physics beyond the Standard Model. A potential pathway towards this is the detection of a nuclear Schiff moment, the magnitude of which is enhanced by the presence of nuclear octupole deformation. However, due to the low production rate of isotopes featuring such ‘pear-shaped’ nuclei, capturing, detecting and manipulating them efficiently is a crucial prerequisite. Incorporating them into synthetic diamond optical crystals can produce defects with defined, molecule-like structures and isolated electronic states within the diamond band gap, increasing capture efficiency, enabling repeated probing of even a single atom and producing narrow optical linewidths. In this study, we used density functional theory to investigate the formation, structure and electronic properties of crystal defects in diamond containing 229 Pa , a rare isotope that is predicted to have an exceptionally strong nuclear octupole deformation. In addition, we identified and studied stable lanthanide-containing defects with similar electronic structures as non-radioactive proxies to aid in experimental methods. Our findings hold promise for the existence of such defects and can contribute to the development of a quantum information processing-inspired toolbox of techniques for studying rare isotopes. This article is part of the Theo Murphy meeting issue ‘Diamond for quantum applications’.

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Section: Resultsmentioning

confidence: 99%

Rare isotope-containing diamond colour centres for fundamental symmetry tests

Morris,

Klink,

Singh

et al. 2023

Phil. Trans. R. Soc. A.

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“…Carbon trimers. Carbon trimers including C 2 C N and C 2 C B were found energetically favorable and proposed to explain some experimental results [165,166,170,171]. Both C 2 C N and C 2 C B have doublet GS (S = 1/2) [166], in particular Golami et al [171] proposed that C 2 C N has quartet substate (S = 3/2).…”

Section: Carbon-based Defectsmentioning

confidence: 96%

Spin-active defects in hexagonal boron nitride

Liu¹,

Guo²,

Yu³

et al. 2022

Mater. Quantum. Technol.

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Quantum technology grown out of quantum information theory, including quantum communication, quantum computation and quantum sensing, not only provides powerful research tools for numerous fields, but also is expected to go to civilian use in the future. Solid-state spin-active defects are one of promising platforms for quantum technology, and the host materials include three-dimensional diamond and silicon carbide, and the emerging two-dimensional hexagonal boron nitride (hBN) and transition-metal dichalcogenides. In this review, we will focus on the spin defects in hBN, and summarize theoretical and experimental progresses made in understanding properties of these spin defects. In particular, the combination of theoretical prediction and experimental verification is highlighted. We also discuss the future advantages and challenges of solid-state spins in hBN on the path towards quantum information applications.

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“…Color centers in hexagonal boron nitride (hBN) have been applied for a single-photon source and quantum sensing, as well as nuclear spin polarization and control, due to their ultrahigh brightness or spin-dependent magnetic-optical properties at room temperature. − In particular, the negatively charged boron vacancy (V B –1 ) color centers in hBN are attracting more and more attention, due to their diverse fabrication methods and the promising sensing applications of the V B –1 ensemble. − However, due to the low quantum efficiency, it is almost impossible to use a V B –1 defect as a single-photon emitter, although various plasmonic microcavities can effectively tune and enhance the photoluminescence (PL) intensity of the V B –1 defect. − Nevertheless, various luminescence defects have been explored in recent years for single-photon emitters or sensors, which are related to vacancy, antisite, carbon-related, or oxygen-related defects, or their complexes of those point defects in hBN, and which cover ultraviolet-to-visible spectral regions. − …”

Section: Introductionmentioning

confidence: 99%

“…Carbon-related defects in hBN have been proven to be ultrabright single-photon emitters − and potential spin defects for nanoscale quantum sensing. − Ion implantation and subsequent annealing, high-temperature annealing of hBN nanoflakes, , electron-beam irradiation, , and the introduction of carbon doping during material synthesis have been used to activate carbon-related quantum emitters. However, carbon-related defects are randomly distributed in different hBN flakes after high-temperature annealing; therefore, it is difficult to fabricate identical emitters at designated sites in nanometer-thick and even monolayer hBN, which hinders the integration of these defects in two-dimensional quantum-optical devices. − Moreover, the atomic structures of carbon-related defects in hBN are speculative or unknown, although many defects, such as carbon dimer, trimer, and tetramer, are considered to be promising candidates by combining group theory with density functional theory (DFT) calculations. − …”

Section: Introductionmentioning

confidence: 99%

Color Centers in Hexagonal Boron Nitride Nanosheet-Based Heterojunctions: Implications for Quantum Emitters and Ultrathin Sensors

Ren,

Xu,

et al. 2024

ACS Appl. Nano Mater.

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Luminescence defects, which are commonly known as color centers in hexagonal boron nitride (hBN), are promising for applications in quantum sensing and emitters, but most of them are challenging to efficiently fabricate and identify. Here, we explore the photoluminescence (PL) spectra of color centers in hBN-based heterojunctions. We clearly observed a series of PL spectra with peaks at ∼680 nm in monolayer and nanometer-thick hBN/SiO 2 heterojunctions after helium-ion irradiation; the line shape and line width of those PL spectra are the same as the boron vacancy in bulk hBN with a peak at 818 nm. We also demonstrated a generation strategy for a carbon-related color center with a zero phonon line at 580.7 nm in a graphene/hBN/SiO 2 heterojunction using 1 keV argon-ion implantation without subsequent annealing. Furthermore, density functional theory calculations were used to speculate on the atomic structures and substrate effects of color centers in hBN-based heterojunctions. This work provides a highly efficient fabrication method for carbon-related color centers in monolayer hBN as quantum emitters and finds that the color centers with peaks at ∼680 nm in monolayer hBN are useful for the monitoring of the ion beam.

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Ab initio and group theoretical study of properties of a carbon trimer defect in hexagonal boron nitride

Cited by 15 publications

References 61 publications

Rare isotope-containing diamond colour centres for fundamental symmetry tests

Rare isotope-containing diamond colour centres for fundamental symmetry tests

Spin-active defects in hexagonal boron nitride

Color Centers in Hexagonal Boron Nitride Nanosheet-Based Heterojunctions: Implications for Quantum Emitters and Ultrathin Sensors

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