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Optically addressable spin defects in wide-bandage semiconductors as promising systems for quantum information and sensing applications have attracted more and more attention recently. Spin defects in two-dimensional materials are supposed…

Hexagonal boron nitride (h-BN) is an important insulating substrate for two-dimensional (2D) heterostructure devices and possesses high dielectric strength comparable to SiO2. Here, we report two clear differences in their physical…

Materials Science · Physics 2018-07-19 Yoshiaki Hattori , Takashi Taniguchi , Kenji Watanabe , Kosuke Nagashio

The negatively charged boron vacancy (VB-) in hexagonal boron nitride (hBN) has been extensively investigated as it offers a novel playground for two-dimensional quantum sensing, with ultimate proximity to target samples. However, its…

A new dislocation structure-square-octagon pair (4|8) is discovered in two-dimensional boron nitride (h-BN), via first-principles calculations. It has lower energy than corresponding pentagon-heptagon pairs (5|7), which contain unfavorable…

Materials Science · Physics 2012-08-02 Yuanyue Liu , Xiaolong Zou , Boris I. Yakobson

Point defect complexes in crystalline silicon composed of hydrogen, nitrogen, and oxygen atoms are studied within density-functional theory (DFT). Ab initio Random Structure Searching (AIRSS) is used to find low-energy defect structures. We…

Materials Science · Physics 2010-02-11 Andrew J. Morris , Chris J. Pickard , R. J. Needs

In this contribution we present the results of Density-Functional Theory (DFT) calculations of platelets as modelled by infinite planar arrangements of hydrogen atoms and vacancies in (100) planes of silicon. From the observation of the…

Materials Science · Physics 2011-11-29 Liviu Bîlteanu , Jean-Paul Crocombette

Quantum emitters in two-dimensional hexagonal boron nitride (h-BN) have generated significant interest due to observations of ultra-bright emission made at room temperature. The expectation that solid-state emitters exhibit broad…

Evaluation of the defect levels in low-dimensional materials is an important aspect of quantum science. In this article, we report a facile synthesis method of hexagonal boron nitride (h-BN) and evaluate the defects and their light emission…

Mesoscale and Nanoscale Physics · Physics 2022-03-30 Ashly Sunny , Aniket Balapure , Ramakrishnan Ganesan , R. Thamankar

Materials with high thermal conductivities (k) is valuable to solve the challenge of waste heat dissipation in highly integrated and miniaturized modern devices. Herein, we report the first synthesis of atomically thin isotopically pure…

Aiming to improve fabrication protocols for boron nitride and graphene (h-BNG) lateral heterostructures, we studied the growth of h-BNG thin films on platinum and their behavior in an oxygen environment. We employed a surface science…

We study silicene on hexagonal boron nitride, using first principles calculations. Since hexagonal boron nitride is semiconducting, the interaction with silicene is weaker than for metallic substrates. It therefore is possible to open a 50…

Mesoscale and Nanoscale Physics · Physics 2013-12-19 T. P. Kaloni , S. Gangopadhyay , N. Singh , B. Jones , U. Schwingenschlögl

Defect centers in insulators play a critical role in creating important functionalities in materials: prototype qubits, single-photon sources, magnetic field probes, and pressure sensors. These functionalities are highly dependent on their…

Materials Science · Physics 2024-03-19 Z. Qiu , K. Vaklinova , P. Huang , M. Grzeszczyk , H. Yang , K. Watanabe , T. Taniguchi , K. S. Novoselov , J. Lu , M. Koperski

Hexagonal boron nitride (hBN) is a layered dielectric material with a wide range of applications in optics and photonics. In this work, we demonstrate a fabrication method for few-layer hBN flakes with areas up to 5000 $\rm \mu m$. We show…

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 hexagonal boron nitride (hBN) encapsulation has been widely used in the electronics applications of 2D materials to improve device performance by protecting 2D materials against contamination and degradation. It is often assumed that…

Materials Science · Physics 2019-06-18 Xu Han , Jiangxiazi Lin , Junwei Liu , Ning Wang , Ding Pan

We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…

Materials Science · Physics 2009-09-10 Abdesalem Houari , Samir. F. Matar , Mohamed A. Belkhir

Among the various kinds of spin defects in hBN, the negatively charged boron vacancy ($\rm V_B^-$) spin defect that can be deterministically generated is undoubtedly a potential candidate for quantum sensing, but its low quantum efficiency…

The signature of defects in the optical spectra of hexagonal boron nitride (BN) is investigated using many body perturbation theory. A single BN-sheet serves as a model for different layered BN- nanostructures and crystals. In the sheet we…

Mesoscale and Nanoscale Physics · Physics 2011-05-03 C. Attaccalite , M. Bockstedte , A. Marini , A. Rubio , L. Wirtz

The electronic structure of monolayer hexagonal boron nitride grown on Ni by the diffusion and precipitation method was studied by x-ray absorption spectroscopy, emission spectroscopy, x-ray photoelectron spectroscopy and micro-ultraviolet…

Hexagonal boron nitride (hBN) is a wide band gap, van der Waals material that is highly promising for solid-state quantum technologies as a host of optically addressable, paramagnetic spin defects. Intrinsic and extrinsic point defects…

Quantum Physics · Physics 2025-09-12 Petros-Panagis Filippatos , Tom J. P. Irons , Katherine Inzani