Electronic interlayer states in hexagonal boron nitride

作者：Alessandra Catellani, M. Posternak, A. Baldereschi, H. J. F. Jansen, A. J. Freeman · 发表于：Physical review. B, Condensed matter · 年份：1985 · DOI：10.1103/physrevb.32.6997 · 被引用次数：67 · 研究领域：Graphene research and applications、Boron and Carbon Nanomaterials Research、2D Materials and Applications

Full-potential self-consistent linearized augmented-plane-wave calculations for hexagonal boron nitride show the existence of unoccupied interlayer states similar to those found in pure and intercalated graphite. Furthermore, in contradiction to the currently accepted picture, the resulting energy-band structure indicates that hexagonal BN is an indirect-gap insulator.