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

Sadegh Ghaderzadeh*, Silvan Kretschmer, Mahdi Ghorbani-Asl, Gregor Hlawacek, Arkady V. Krasheninnikov

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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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.

Original languageEnglish
Article number1214
Number of pages14
JournalNanomaterials
Volume11
Issue number5
DOIs
Publication statusPublished - May 2021
MoE publication typeA1 Journal article-refereed

Keywords

  • Atomistic simulations
  • Defects
  • H-BN
  • Ion irradiation
  • Photo-emitters
  • Two-dimensional materials

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