Автор |
S Debiaggi |
Автор |
A Caro |
Дата выпуска |
1992-04-13 |
dc.description |
The authors use a simple semiempirical quantum chemical model at a Hartree level of approximation, supplemented with a pair potential, to study defects (vacancies, self-adatoms and self-adatom clusters) on the Al (001) surface. They calculate their energies and equilibrium configurations and analyse the influence of the fall relaxation of all degrees of freedom by comparing the prediction with the available ab initio calculations reported in the literature. |
Формат |
application.pdf |
Издатель |
Institute of Physics Publishing |
Название |
Defects and adatoms on the (001) aluminium surface using simple quantum chemical molecular statics |
Тип |
paper |
DOI |
10.1088/0953-8984/4/15/005 |
Electronic ISSN |
1361-648X |
Print ISSN |
0953-8984 |
Журнал |
Journal of Physics: Condensed Matter |
Том |
4 |
Первая страница |
3905 |
Последняя страница |
3914 |
Аффилиация |
S Debiaggi; Paul Scherrer Inst., Villigen, Switzerland |
Аффилиация |
A Caro; Paul Scherrer Inst., Villigen, Switzerland |
Выпуск |
15 |