Authors
Citation
Mi. Trioni et al., CHARGE-TRANSFER IN CHEMISORPTION - N AND SI ON AL, Solid state communications, 99(1), 1996, pp. 7-11
Citations number
13
Categorie Soggetti
Physics, Condensed Matter
Journal title
ISSN journal
00381098
Volume
99
Issue
1
Year of publication
1996
Pages
7 - 11
Database
ISI
SICI code
0038-1098(1996)99:1<7:CIC-NA>2.0.ZU;2-W
Abstract
In this paper, within an ab initio framework, we are able to calculate
the charge transfer er of N and Si adatoms on an Al surface described
as jellium. We find Q(T) = 0.53 electrons for N, and Q(T) = 0.31 elec
trons for Si, at the adatom-surface equilibrium distance. This indicat
es a more ionic character of the N chemisorption bond on Al. These res
ults are confirmed by a spectral analysis of both bonds. Copyright (C)
1996 Published by Elsevier Science Ltd