scholarly journals First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride

2021 ◽  
Vol 125 (6) ◽  
pp. 1325-1335 ◽  
Author(s):  
Cesar Jara ◽  
Tomáš Rauch ◽  
Silvana Botti ◽  
Miguel A. L. Marques ◽  
Ariel Norambuena ◽  
...  
2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Tyler J. Smart ◽  
Kejun Li ◽  
Junqing Xu ◽  
Yuan Ping

AbstractDespite the recognition of two-dimensional (2D) systems as emerging and scalable host materials of single-photon emitters or spin qubits, the uncontrolled, and undetermined chemical nature of these quantum defects has been a roadblock to further development. Leveraging the design of extrinsic defects can circumvent these persistent issues and provide an ultimate solution. Here, we established a complete theoretical framework to accurately and systematically design quantum defects in wide-bandgap 2D systems. With this approach, essential static and dynamical properties are equally considered for spin qubit discovery. In particular, many-body interactions such as defect–exciton couplings are vital for describing excited state properties of defects in ultrathin 2D systems. Meanwhile, nonradiative processes such as phonon-assisted decay and intersystem crossing rates require careful evaluation, which competes together with radiative processes. From a thorough screening of defects based on first-principles calculations, we identify promising single-photon emitters such as SiVV and spin qubits such as TiVV and MoVV in hexagonal boron nitride. This work provided a complete first-principles theoretical framework for defect design in 2D materials.


ACS Photonics ◽  
2016 ◽  
Vol 3 (12) ◽  
pp. 2490-2496 ◽  
Author(s):  
Zav Shotan ◽  
Harishankar Jayakumar ◽  
Christopher R. Considine ◽  
Mažena Mackoit ◽  
Helmut Fedder ◽  
...  

2018 ◽  
Vol 3 (3) ◽  
pp. 27-34 ◽  
Author(s):  
Balaji Sompalle ◽  
Jérôme Borme ◽  
Fátima Cerqueira ◽  
Tangyou Sun ◽  
Rui Campos ◽  
...  

Hexagonal boron nitride (h-BN) has potential applications in protective coatings, single photon emitters and as substrate for graphene electronics. In this paper, we report on the growth of h-BN by chemical vapor deposition (CVD) using ammonia borane as the precursor. Use of CVD allows controlled synthesis over large areas defined by process parameters, e.g. temperature, time, process chamber pressure and gas partial pressures. Furthermore, independently grown graphene and h-BN layers are put together to realize enhancement in electronic properties of graphene.


2021 ◽  
Author(s):  
Qinghai Tan ◽  
Jia-Min Lai ◽  
Xue-Lu Liu ◽  
Dan Guo ◽  
Yong-Zhou Xue ◽  
...  

Abstract Quantum emitters are needed for a myriad of applications ranging from quantum sensing to quantum computing. Hexagonal boron nitride (hBN) quantum emitters are the most promising solid-state platform to date due to its high brightness, stability, and the possibility of spin photon interface. However, the understanding of the physical origins of the single-photon emitters (SPEs) is still limited. Here, we present concrete and conclusive evidence that the dense SPEs in hBN, across entire visible spectrum, can be well explained by donor-acceptor pairs (DAPs). Based on the DAP transition generation mechanism, we have calculated their wavelength fingerprint, matching well with the experimentally observed photoluminescence spectrum. Our work serves as a step forward for the physical understanding of SPEs in hBN and their applications in quantum technologies.


2020 ◽  
Vol 117 (24) ◽  
pp. 13214-13219 ◽  
Author(s):  
Maciej Koperski ◽  
Diana Vaclavkova ◽  
Kenji Watanabe ◽  
Takashi Taniguchi ◽  
Kostya S. Novoselov ◽  
...  

When serving as a protection tissue and/or inducing a periodic lateral modulation for/in atomically thin crystals, hexagonal boron nitride (hBN) has revolutionized the research on van der Waals heterostructures. By itself, hBN appears as an emergent wide-bandgap material, which, importantly, can be optically bright in the far-ultraviolet range and which frequently displays midgap defect-related centers of yet-unclear origin, but, interestingly, acting as single-photon emitters. Controlling the hBN doping is of particular interest in view of the possible practical use of this material. Here, we demonstrate that enriching hBN with carbon (C) activates an optical response of this material in the form of a series of well-defined resonances in visible and near-infrared regions, which appear in the luminescence spectra measured under below-bandgap excitation. Two, qualitatively different, C-related radiative centers are identified: One follows the Franck–Condon principle that describes transitions between two defect states with emission/annihilation of optical phonons, and the other shows atomic-like resonances characteristic of intradefect transitions. With a detailed characterization of the energy structure and emission dynamics of these radiative centers, we contribute to the development of controlled doping of hBN with midgap centers.


Nanoscale ◽  
2018 ◽  
Vol 10 (17) ◽  
pp. 7957-7965 ◽  
Author(s):  
Zai-Quan Xu ◽  
Christopher Elbadawi ◽  
Toan Trong Tran ◽  
Mehran Kianinia ◽  
Xiuling Li ◽  
...  

Ar plasma etching and annealing are highly robust in generating oxygen related single photon emitters in hBN.


2020 ◽  
Vol 10 ◽  
pp. 184798042094934
Author(s):  
Michele Re Fiorentin ◽  
Kiptiemoi Korir Kiprono ◽  
Francesca Risplendi

Single-photon emitters in hexagonal boron nitride have attracted great attention over the last few years due to their excellent optoelectronical properties. Despite the vast range of results reported in the literature, studies on substitutional impurities belonging to the 13th and 15th groups have not been reported yet. Here, through theoretical modeling, we provide direct evidence that hexagonal boron nitride can be opportunely modified by introducing impurity atoms such as aluminum or phosphorus that may work as color centers for single-photon emission. By means of density functional theory, we focus on determining the structural stability, induced strain, and charge states of such defects and discuss their electronic properties. Nitrogen substitutions with heteroatoms of group 15 are shown to provide attractive features (e.g. deep defect levels and localized defect states) for single-photon emission. These results may open up new possibilities for employing innovative quantum emitters based on hexagonal boron nitride for emerging applications in nanophotonics and nanoscale sensing devices.


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