EXCHANGE MECHANISMS FOR SELF-DIFFUSION ON ALUMINUM SURFACES

被引：20

作者：

GRAVIL, PA

HOLLOWAY, S

机构：

[1] UNIV LIVERPOOL,SURFACE SCI RES CTR,LIVERPOOL L69 3BX,ENGLAND

[2] UNIV LIVERPOOL,DEPT CHEM,LIVERPOOL L69 3BX,ENGLAND

来源：

SURFACE SCIENCE | 1994年 / 310卷 / 1-3期

关键词：

D O I：

10.1016/0039-6028(94)91390-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present the results of molecular dynamics simulations and energy minimisation calculations for the diffusion of an Al adatom on Al(110) and Al(100) surfaces using a realistic many-body potential. For the Al/Al(110) system, the adatom motion is found to involve both a simple atomic-hopping mechanism, for displacements along the surface channels, and an atomic-exchange mechanism for displacements across the channels. On the (100) surface diffusion proceeds by an exchange mechanism. The transition state for this process is stabilised by strong covalent bonding.

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页码：267 / 272

页数：6

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