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Electronic structure of the (111) and (-1-1-1) surfaces of cubic BN: A local-density-functional ab initio study

Krisztina Kadas·Georg Kern·Jurgen Hafner
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Abstract

We present ab initio local-density-functional electronic structure calculations for the (111) and (-1-1-1) surfaces of cubic BN. The energetically stable reconstructions, namely the N adatom, N3 triangle models on the (111), the (2x1), boron and nitrogen triangle patterns on the (-1-1-1) surface are investigated. Band structure and properties of the surface states are discussed in detail.

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Krisztina Kadas, Georg Kern, Jurgen Hafner. 1999-10-29. Electronic structure of the (111) and (-1-1-1) surfaces of cubic BN: A local-density-functional ab initio study. https://doi.org/10.1103/physrevb.60.8719

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