| Numéro |
J. Phys. I France
Volume 3, Numéro 11, November 1993
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|---|---|---|
| Page(s) | 2299 - 2309 | |
| DOI | https://doi.org/10.1051/jp1:1993246 | |
DOI: 10.1051/jp1:1993246
J. Phys. I France 3 (1993) 2299-2309
1 I.P.C.M.S.-G.E.M.M.E. (UM 46 CNRS), Université Louis Pasteur, 67070 Strasbourg, France
2 Département de Physique, Université Marien Ngouabi, Brazzaville, Congo
3 Laboratoire d'Energétique, BP 906, Ankatso, Antananaxivo, Madagascar
© Les Editions de Physique 1993
J. Phys. I France 3 (1993) 2299-2309
Electronic structure model for single B, C or N adatoms upon graphite
A. Rakotomahevitra1, C. Demangeat1, J.C. Parlebas1, G. Moraitis2 and E. Razafindrakoto31 I.P.C.M.S.-G.E.M.M.E. (UM 46 CNRS), Université Louis Pasteur, 67070 Strasbourg, France
2 Département de Physique, Université Marien Ngouabi, Brazzaville, Congo
3 Laboratoire d'Energétique, BP 906, Ankatso, Antananaxivo, Madagascar
(Received 17 February 1993, revised 11 June 1993, accepted 20 July 1993)
Abstract
An extra-orbital tight-binding scheme and a repulsive Born-Mayer model are used to determine the total adsorption energy of
a 2p adatom (B, C or N) at the surface of graphite. The corresponding electronic structure of the adsorbed atom is deduced
for the most stable (hollow) position. Our model allows us to exhibit an increase of the local density of states on the adatom
and a decrease of charge transfer (from adatom to carbon) when going from boron to nitrogen.
© Les Editions de Physique 1993