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

Authors
Kadas, K Kern, G Hafner, J
Citation
K. Kadas et al., Electronic structure of the (111) and ((1)over-bar(1)over-bar(1)over-bar) surfaces of cubic BN: A local-density-functional ab initio study, PHYS REV B, 60(12), 1999, pp. 8719-8726
Citations number
23
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
60
Issue
12
Year of publication
1999
Pages
8719 - 8726
Database
ISI
SICI code
0163-1829(19990915)60:12<8719:ESOT(A>2.0.ZU;2-D
Abstract
We present ab initio local-density-functional electronic structure calculat ions for the (111) and ((1) over bar (1) over bar (1) over bar) surfaces of cubic BN. The energetically stable reconstructions, namely, the N adatom, N-3 triangle models on the (111), the (2x1), boron, and nitrogen triangle p atterns on the ((1) over bar (1) over bar (1) over bar) surface are investi gated. Band structure and properties of the surface states are discussed in detail.