ELECTRONIC-STRUCTURE MODEL FOR SINGLE B-ADATOMS, C-ADATOMS OR N-ADATOMS UPON GRAPHITE

被引：0
|
作者：
RAKOTOMAHEVITRA, A
DEMANGEAT, C
PARLEBAS, JC
MORAITIS, G
RAZAFINDRAKOTO, E
机构：
[1] UNIV MARIEN NGOUABI, DEPT PHYS, Brazzaville, REP CONGO
[2] LAB ENERGET, ANTANANARIVO, MADAGASCAR
来源：
JOURNAL DE PHYSIQUE I | 1993年 / 3卷 / 11期
关键词：
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
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.
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页码：2299 / 2309
页数：11
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