Atomistic simulations of defect production in monolayer and bulk hexagonal boron nitride under low-and high-fluence ion irradiation

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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2021-05
Major/Subject
Mcode
Degree programme
Language
en
Pages
Series
Nanomaterials, Volume 11, issue 5
Abstract
Controlled production of defects in hexagonal boron nitride (h-BN) through ion irradiation has recently been demonstrated to be an effective tool for adding new functionalities to this material, such as single-photon generation, and for developing optical quantum applications. Using analytical potential molecular dynamics, we study the mechanisms of vacancy creation in single-and multi-layer h-BN under low-and high-fluence ion irradiation. Our results quantify the densities of defects produced by noble gas ions in a wide range of ion energies and elucidate the types and distribution of defects in the target. The simulation data can directly be used to guide the experiment aimed at the creation of defects of particular types in h-BN targets for single-photon emission, spin-selective optical transitions and other applications by using beams of energetic ions.
Description
Funding Information: Funding: We thank the DFG for support within the projects KR 4866/2–1 (project number 406129719). Publisher Copyright: © 2021 by the authors. Licensee MDPI, Basel, Switzerland. Copyright: Copyright 2021 Elsevier B.V., All rights reserved.
Keywords
Atomistic simulations, Defects, H-BN, Ion irradiation, Photo-emitters, Two-dimensional materials
Other note
Citation
Ghaderzadeh, S, Kretschmer, S, Ghorbani-Asl, M, Hlawacek, G & Krasheninnikov, A V 2021, ' Atomistic simulations of defect production in monolayer and bulk hexagonal boron nitride under low-and high-fluence ion irradiation ', Nanomaterials, vol. 11, no. 5, 1214 . https://doi.org/10.3390/nano11051214