Electronic structure of the (111) and (-1-1-1) surfaces of cubic BN: A local-density-functional ab initio study
arXiv:cond-mat/9910486 · doi:10.1103/PhysRevB.60.8719
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.
8 pages, 12 figures