Surface-diffusion mechanism versus electric field: Pt/Pt(001)

被引：112

作者：

Feibelman, PJ ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

PHYSICAL REVIEW B | 2001年 / 64卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.64.125403

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ab initio calculations agree with field ion microscopy (FIM) that the barrier to substitutional diffusion of a Pt atom on Pt(001) varies linearly with external electric field. changing similar to0.1 eV per V/Angstrom and increasing for fields oriented to push electrons into the surface. But with a computed hopping barrier remaining >0.5 eV higher than that for substitution, they contradict the idea that a change in FIM site visitation at fields of 1.5-2 V/Angstrom and temperatures similar to 265-284 K can be attributed to the onset of hopping.

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