Open AccessInfluence of interaction between Cu adatoms on the hopping diffusion on Cu(001) surface
Author(s) -
Yongliang Wang,
Chao Zhang,
Tang Xin,
Qingyu Zhang
Publication year - 2006
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.55.4214
Subject(s) - diffusion , materials science , condensed matter physics , atom (system on chip) , lattice diffusion coefficient , lattice (music) , molecular dynamics , surface diffusion , chemical physics , molecular physics , physics , chemistry , effective diffusion coefficient , computational chemistry , adsorption , thermodynamics , medicine , radiology , computer science , acoustics , magnetic resonance imaging , embedded system
Based on the atomic interaction potential with the embedded atom, molecular dynamics simulation was used to study the variation of Cu(001) surface caused by a Cu adatom and the hopping barriers of another Cu adatom in its vicinity. The results show that the Cu adatom may distort the positions of Cu atoms in the substrate to the extent of 2 lattice constants and the influence is as deep as 10 layers. Due to the interaction of the stress field between two adatoms, the hopping diffusion barriers of the adatoms are decreased and the adatoms are more active in diffusion than a single adatom. By comparing the difference of hopping barriers to and fro along the same diffusion path, the migrating behavior of the adatoms can be divided into two kinds of diffusion, depending on the distance between the two adatoms. If they are at a distance longer than the effective distance of the atomic interaction potentials, the diffusion of adatoms is affected only by the interaction of the stress field between two adatoms. If they are at a distance shorter than the effective distance of the atomic interaction potentials, the two adatoms should be considered as an ad-dimer in different states.