Small band-gap graphitic CBN layers Academic Article

abstract

• Electronic band structure computations for a perfect hexagonal layer of CBN have been performed via density functional theory using the local density approximation to the exchange-correlation potential. A small band gap of 0.2 eV is thereby obtained, with the band gap being offset away from the central -point of the two-dimensional Brillouin zone. These results are rationalized in terms of a simple empirical Hckel model, for which simple structural criteria for a zero band gap are noted. Special attention is paid to the case with a minimum content of carbon, and some comparison is made to earlier band structures for two different geometrical layers of C2BN. 1998 Elsevier Science Ltd. All rights reserved.

authors

• Klein, Douglas

published proceedings

• JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

altmetric score

• 3

author list (cited authors)

• Zhu, H. Y., Klein, D. J., March, N. H., & Rubio, A.

citation count

• 20

complete list of authors

• Zhu, HY||Klein, DJ||March, NH||Rubio, A

publication date

• August 1998

publisher

• Elsevier  Publisher

published in

• Journal of Physics and Chemistry of Solids  Journal

keywords

• 51 Physical Sciences
• 5104 Condensed Matter Physics

Digital Object Identifier (DOI)

• 10.1016/S0022-3697(98)00031-6

start page

• 1303

end page

• 1308

volume

• 59

issue

• 8

URL

• http://dx.doi.org/10.1016/s0022-3697(98)00031-6