Thermodynamics of carbon point defects in hexagonal boron nitride

Maciaszek, M.; Razinkovas, Lukas; Alkauskas, Audrius

doi:10.1103/physrevmaterials.6.014005

Cited by 25 publications

(33 citation statements)

References 50 publications

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“…After Bourrellier et al. reported the first quantum emission at near 300 nm (4.09 eV) using CL (Figure 9b), theoretical calculations also revealed that C B C N , [ 132 ] C B , [ 133 ] and other carbon‐related defects [ 131,134 ] are origins of the single‐photon emissions near 300 nm (≈4.1 eV). The wavelengths of single‐photon emissions from exfoliated h‐BN (flake) or grown h‐BN with corresponding proposed defect origins are summarized in Figure 9 and Table 3 .…”

Section: H‐bn For Next‐generation Photonicsmentioning

confidence: 97%

Hexagonal Boron Nitride for Next‐Generation Photonics and Electronics

et al. 2022

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Hexagonal boron nitride (h-BN), a member of 2D materials, has an analogous crystal structure to graphene, yet, is an insulator having an indirect bandgap of ≈6 eV. [16] h-BN has been explored as the "ideal" substrate and excellent encapsulant [17] for other 2D materials including graphene and transition metal dichalcogenides (TMDs) due to its excellent insulating property, atomically flat surface free of dangling bonds, [18] and charged impurities, and high thermal conductivity. [19,20] Encapsulating other 2D materials with h-BN effectively protects them from local electrical and chemical environment, enabling them to manifest their theoretically expected "intrinsic" properties. In addition, h-BN has been utilized as passive components in 2D vdW electronic devices, such as gate dielectrics and tunneling barriers.Recently, h-BN is attracting intensive research interests, motivated by the variety of outstanding properties, it shows across the fields of quantum optics, [21] electronics, and optoelectronics. [22] For example, despite its indirect-bandgap nature, h-BN showed deep-ultraviolet (DUV) emission with exceptionally high internal quantum efficiency (IQE) comparable to or even higher than single-crystalline direct-bandgap semiconductors. Defects in h-BN are efficient [21,23] and stable sources for single-photon emission over a wide range of wavelengths, from near-infrared (NIR) [24] to nearultraviolet (NUV), [25] at room temperature. The giant lightmatter interaction and strong band-edge absorption offered by h-BN enable the realization of solar-blind DUV photo detection by using h-BN as the active layer where DUV photons are effectively absorbed and create electrical carriers. h-BN has also been adopted as active media for low energy electronic devices, including nonvolatile resistive switching (RS) memory and radio-frequency (RF) devices, in addition to passive components for field-effect transistors (FETs), effective diffusion barriers, and low-k interlayer dielectrics (ILDs).This article aims to review the most recent discoveries of extraordinary properties of h-BN and advancements in emerging photonic and electronic applications. Although there are several well-written review articles on h-BN, [26][27][28][29] this review article focuses on the most recent theoretical discoveries, such as the stacking sequences of h-BN and related optical properties, and the elucidation on how an indirect-bandgap h-BN exhibits strong emission as efficient as a direct-bandgap Hexagonal boron nitride (h-BN), an insulating 2D layered material, has recently attracted tremendous interest motivated by the extraordinary properties it shows across the fields of optoelectronics, quantum optics, and electronics, being exotic material platforms for various applications. At an early stage of h-BN research, it is explored as an ideal substrate and insulating layers for other 2D materials due to its atomically flat surface that is free of dangling bonds and charged impurities, and its high thermal conductivity. Recent discoveries of st...

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Section: H‐bn For Next‐generation Photonicsmentioning

confidence: 97%

Hexagonal Boron Nitride for Next‐Generation Photonics and Electronics

et al. 2022

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“…Carbon interstitials have been excluded due to their high formation energies and low diffusion barriers . Nonetheless, the number of possibilities is large, as it includes numerous nearest-neighbor and next-nearest-neighbor permutations of the point defects, as well as larger clusters. , Many of these defects are thermodynamically stable under various growth conditions, can occur in multiple charge states, and have calculated ZPL energies that correlate with SPEs observed experimentally (Figure ). The resulting diversity makes it challenging to assign conclusively the simulated atomic structures to SPEs based on ZPL wavelengths observed in experiments .…”

Section: Atomic Structurementioning

confidence: 99%

“…Overall, none of the above defect structure assignments are conclusive, despite an emerging consensus about the significant role of carbon in hBN SPEs. For example, even the simplest monatomic substitutional carbon defects (C B and C N , Figure ) have been both proposed , and dismissed as potential SPEs in recent computational studies. At the opposite extreme of clusters, various complexes other than the carbon dimers/trimers have calculated optical properties that are consistent with UV and visible SPEs.…”

Section: Atomic Structurementioning

confidence: 99%

Quantum Emitters in Hexagonal Boron Nitride

2022

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Hexagonal boron nitride (hBN) has emerged as a fascinating platform to explore quantum emitters and their applications. Beyond being a wide-bandgap material, it is also a van der Waals crystal, enabling direct exfoliation of atomically thin layers�a combination which offers unique advantages over bulk, 3D crystals. In this Mini Review we discuss the unique properties of hBN quantum emitters and highlight progress toward their future implementation in practical devices. We focus on engineering and integration of the emitters with scalable photonic resonators. We also highlight recently discovered spin defects in hBN and discuss their potential utility for quantum sensing. All in all, hBN has become a front runner in explorations of solid-state quantum science with promising future prospects.

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“…Theoretical calculations found the formation energy of the C B C N defect to be about 2 eV (ref. 25, 26 and 30) (the energy is positive since the original B B N N pair has a lower energy than the C B C N pair) and it is independent of nitrogen flux.…”

Section: Resultsmentioning

confidence: 99%