Electronic interlayer states in hexagonal boron nitride

Journal Article · Fri Nov 15 04:00:00 EST 1985 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.32.6997· OSTI ID:5079070

Catellani, A; Posternak, M; Baldereschi, A; Jansen, H J.F.; Freeman, A J

Full-potential self-consistent linearized augmented-plane-wave calculations for hexagonal boron nitride show the existence of unoccupied interlayer states similar to those found in pure and intercalated graphite. Furthermore, in contradiction to the currently accepted picture, the resulting energy-band structure indicates that hexagonal BN is an indirect-gap insulator.

• Research Organization: Institut de Physique Appliquee, Ecole Polytechnique Federale, CH-1015 Lausanne, Switzerland
• OSTI ID: 5079070
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 32:10; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
BORON COMPOUNDS
BORON NITRIDES
CARBON
CLATHRATES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
ELEMENTAL MINERALS
ELEMENTS
GRAPHITE
HEXAGONAL LATTICES
LAYERS
MINERALS
NITRIDES
NITROGEN COMPOUNDS
NONMETALS
PNICTIDES
THREE-DIMENSIONAL CALCULATIONS