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Properties of intrinsic point defects and dimers in hexagonal boron nitride
2019
Journal of Physics: Condensed Matter
Hexagonal boron nitride (hBN) is a wide gap 2D layered material with good insulating properties. Intrinsic point defects in hBN play an important role in its applications as a dielectric in 2D electronic devices. However, the electronic properties of these defects are still poorly understood. We have calculated the structure and properties of a wide range of intrinsic point defects in the bulk of hBN using hybrid density functional theory (DFT). These include vacancies and interstitial states
doi:10.1088/1361-648x/ab4e5d
pmid:31618727
fatcat:eghsgetulbdcvdgefhsd4pmvie