Competition between vacancy creation and filling in defect-engineering of hBN

Abstract: Hexagonal boron nitride (hBN) has recently become the focus of intense research as a material that can host quantum emitters. It is known that such emission is related to point defects, but in order to conclusively correlate specific defects to their spectra, having control over the defect creation mechanism is required. Here, we prepare freestanding, monolayer hBN samples and irradiate them with ultra-low-energy (150 eV) Ar+ ions. The samples are characterized before and after irradiation via scanning transmission electron microscopy to assess the defect density and distribution. Contrary to what analytical potential molecular dynamics simulations have predicted, we predominantly observe boron single vacancies after ion irradiation, followed by double vacancies at half the count. Moreover, we also observe that vacancy filling with Si and C impurity atoms plays a more significant role in the created defects than previously assumed, potentially posing a problem for selective creation of quantum emitters in hBN.