Quasiparticle band structure of bulk hexagonal boron nitride and related systems

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Abstract
The quasiparticle band structure of bulk hexagonal boron nitride is studied within the GW approximation for the self-energy operator. The influence of the interlayer distance on the band structure is investigated both within the local density approximation and the quasiparticle approach, and the importance of an interlayer state in determining the gap is demonstrated. Also, the quasiparticle band structure for an isolated sheet of boron nitride is calculated. We show that the equivalent of the interlayer state in the case of the isolated boron nitride sheet plays the same role as in the bulk case in determing the band gap.