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Electronic properties of zigzag boron nitride nanoribbons periodically embedded with four- and eight-membered rings

ABSTRACT We systematically studied the electronic properties of zigzag boron nitride nanoribbons periodically embedded with four- and eight-membered rings (new ZBNNRs) and the influence of vacancies on the electronic properties. The results reveal that the band gap of the new ZBNNRs is greatly reduced, down to a range of 3.830–3.995 eV, enabling the allotropes to display semiconductor properties and satisfying the requirements of the third-generation semiconductor bandgap width, and can provide high-quality materials for the preparation of third-generation semiconductor nanodevices. Second, although the vacancy has not changed the semiconductor characteristics of the new ZBNNRs, the band-gap bandwidth will be reduced to some extent due to the difference in vacancy position and electronic state.