BN Diamane-like Quasicrystal Based on 30° Twisted H-BN Bilayers and Its Approximants: Features of the Atomic Structure and Electronic Properties
نویسندگان
چکیده
The dodecagonal graphene quasicrystal (GQC) based on a 30° twisted bigraphene has been well investigated. Recently, the sp3-hybridizated carbon analog, diamane as H(F) functionalized GQC was proposed. Here we present study of similar boron nitride 3-fold symmetry piezoelectric (BNnQC) hexagonal BN bilayer (BNQC). analysis atomic and electronic structures its approximants 29.4° 27.8° h-BN bilayers carried by using density functional theory (DFT). calculated values energy gaps ∼5 eV classify this predicted material new wide-gap 2D quasicrystal.
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ژورنال
عنوان ژورنال: Crystals
سال: 2023
ISSN: ['2073-4352']
DOI: https://doi.org/10.3390/cryst13030421