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Defect states in 2D materials present many possible uses but both experimental and computational characterization of their spectroscopic properties is difficult. We provide and compare results from 13 DFT and ab initio computational methods…

计算物理 · 物理学 2018-02-12 Jeffrey R. Reimers , Ali Sajid , Rika Kobayashi , Michael J. Ford

Key properties of nine possible defect sites in hexagonal boron nitride (h-BN) are predicted using density-functional theory and are corrected by applying results from high-level ab initio calculations. Observed h-BN electron-paramagnetic…

计算物理 · 物理学 2018-02-12 A. Sajid , Jeffrey R. Reimers , Michael J. Ford

Ensembles of negatively charged boron vacancy (V$_{\text{B}}^-$) centers in hexagonal boron nitride (hBN) have emerged as a two-dimensional spin qubit system interfaced with optics to advance nanoscale quantum sensing. However, a…

Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we…

材料科学 · 物理学 2021-02-16 Jeffrey R. Reimers , A. Sajid , Rika Kobayashi , Michael J. Ford

Recently, numerous techniques have been reported for generating optically active defects in exfoliated hexagonal boron nitride (hBN), which hold transformative potential for quantum photonic devices. However, achieving on-demand generation…

The negatively charged boron vacancy ($\mathrm{V}_{\mathrm{B}}^-$) in hexagonal boron nitride (hBN) has garnered significant attention among defects in two-dimensional materials. This owes, in part, to its deterministic generation,…

Boron vacancies in hexagonal boron nitride (hBN) are among the most extensively studied optically active spin defects in van der Waals crystals, due to their promising potential to develop two-dimensional (2D) quantum sensors. In this…

Defects in hexagonal boron nitride (hBN) exhibit single-photon emission (SPE) and are thus attracting broad interest as platforms for quantum information and spintronic applications. However, the atomic structure and the specific impact of…

Hexagonal boron nitride (hBN) hosts luminescent defects possessing spin qualities compatible with quantum sensing protocols at room temperature. Vacancies, in particular, are readily obtained via exposure to high-energy ion beams. While the…

Two-dimensional hexagonal boron nitride offers intriguing opportunities for advanced studies of light-matter interaction at the nanoscale, specifically for realizations in quantum nanophotonics. Here, we demonstrate the engineering of…

应用物理 · 物理学 2020-04-20 Mehran Kianinia , Simon White , Johannes E. Fröch , Carlo Bradac , Igor Aharonovich

We used optically detected magnetic resonance (ODMR) technique to directly probe electron-spin resonance transitions in the excited state of negatively-charged boron vacancy (VB-) defects in hexagonal boron nitride (hBN) at room…

Crystal defects in the two-dimensional insulator hexagonal boron nitride (hBN) can host localised electronic states that are candidates for applications in quantum technology, yet the precise chemical and structural nature of the defects…

材料科学 · 物理学 2019-12-18 A Sajid , Kristian S Thygesen , Jeffrey R Reimers , Michael J Ford

Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive…

Color centers in hexagonal boron nitride (hBN) have become an intensively researched system due to their potential applications in quantum technologies. There has been a large variety of defects being fabricated, yet, for many of them, the…

量子物理 · 物理学 2024-08-02 Chanaprom Cholsuk , Ashkan Zand , Asli Cakan , Tobias Vogl

Point defects in hexagonal boron nitride (hBN) have attracted growing attention as bright single-photon emitters. However, understanding of their atomic structure and radiative properties remains incomplete. Here we study the excited states…

材料科学 · 物理学 2020-11-10 Shiyuan Gao , Hsiao-Yi Chen , Marco Bernardi

Color centers in hexagonal boron nitride (hBN) have recently emerged as promising candidates for a new wave of quantum applications. Thanks to hBN's high stability and 2-dimensional (2D) layered structure, color centers in hBN can serve as…

量子物理 · 物理学 2023-05-02 Sumukh Vaidya , Xingyu Gao , Saakshi Dikshit , Igor Aharonovich , Tongcang Li

Hexagonal boron nitride (hBN) has emerged as a promising material platform for nanophotonics and quantum sensing, hosting optically-active defects with exceptional properties such as high brightness and large spectral tuning. However,…

Charged defects in 2D materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. Advancement of these technologies requires rational design of ideal defect centers, demanding reliable…

材料科学 · 物理学 2017-12-13 Feng Wu , Galatas Andrew , Ravishankar Sundararaman , Dario Rocca , Yuan Ping

Negatively charged boron vacancies ($\small{V_B^-}$) in hexagonal boron nitride (hBN) have recently gained interest as spin defects for quantum information processing and quantum sensing by a layered material. However, the boron vacancy can…

Quantum emitters in hexagonal boron nitride (hBN) have gained significant attention due to a wide range of defects that offer high quantum efficiency and single-photon purity at room temperature. Most theoretical studies on hBN defects…

量子物理 · 物理学 2025-12-01 Chanaprom Cholsuk , Sujin Suwanna , Tobias Vogl
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