Open AccessMULTILAYER RELAXATION OF Al SURFACE APPLICATION OF THE MODIFIED EMBEDDED ATOM POTENTIALS
Author(s) -
Shigang Shen,
Wan Jun,
Fan Xi-Qing
Publication year - 1997
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.46.2198
Subject(s) - relaxation (psychology) , materials science , atom (system on chip) , surface (topology) , atomic physics , condensed matter physics , molecular physics , physics , psychology , social psychology , geometry , mathematics , computer science , embedded system
The multilayer relaxation of Al(100),(110),(111) and (210),(211),(310),(311) and (331) surfaces is calculated using the modified embedded atom method. The results are in good agreement with the experimental data and first-principle calculations. Especially, the results for Al(100) and (111), which show “anomalous” behaviors in surface relaxation, that is both exhibit- expansions between the first two layers, are consistent with the experimental data. It is suggested- that these expansions are mainly due to the increase of electronic s state and the decrease of p state in the bonds between the first two layers.