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

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

1999-10-29

arxiv.org/abs/cond-mat/9910486v1

Physical Review B, Vol. 60, No. 12., 1999, page 8719-8726

Physics

Condensed Matter

Materials Science

8 pages, 12 figures

Scientific paper

10.1103/PhysRevB.60.8719

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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