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Controlled Generation of Luminescent Centers in Hexagonal Boron Nitride by Irradiation Engineering

Fischer, M.; Caridad, J. M.; Sajid, A.; Ghaderzadeh, S.; Ghorbani Asl, M.; Gammelgaard, L.; Bøggild, P.; Thygesen, K. S.; Krasheninnikov, A.; Xiao, S.; Wubs, M.; Stenger, N.

Luminescent centres in the two-dimensional material hexagonal boron nitride have the potential to enable quantum applications at room temperature. In order to be utilized for applications it is crucial to generate these centres in a controlled manner and to identify their microscopic nature. Here we present a novel method inspired by irradiation engineering with oxygen atoms. We explore systematically the influence of the kinetic energy and the irradiation fluence on the generation of luminescent centres. We find modifications of their density for both parameters while a five-fold enhancement is observed with increasing fluence. Molecular dynamics simulations clarify the generation mechanism of these centres and their microscopic nature. We infer that V_N C_B and V_B are the most likely centres formed. Ab initio calculations of their optical properties show excellent agreement with our experiments. Our methodology generates quantum emitters in a controlled manner and provides new insights into their microscopic nature.

Keywords: two-dimensional materials; hexagonal boron nitride; defect engineering; ion irradiation; luminescent centre; quantum emitter

Permalink: https://www.hzdr.de/publications/Publ-32345
Publ.-Id: 32345