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
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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