RELAXATION AND FORCE-CONSTANTS NEAR FCC TRANSITION-METAL SURFACES

被引：21

作者：

ALLAN, G

机构：

[1] Laboratoire de Physique des Solides Equipe du Laboratoire des Surfaces et Interfaces associé au Centre National de la Recherche Scientifique., Institut Supérieur d'Electronique du Nord, 3

来源：

SURFACE SCIENCE | 1979年 / 89卷 / 1-3期

关键词：

D O I：

10.1016/0039-6028(79)90601-0

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：

Within the tight-binding approximation used together with the moment method, we get a contraction of the surface layer of transition metals. This result is discussed in view of recent experimental measurements. We notably show that this top layer contraction strongly enhances force constants between atoms close to the surface giving rise to a localized step phonon at a frequency above the bulk phonon spectrum. The relaxation energy is also calculated. This term is shown to favour monoatomic steps but in any case it remains quite small. © 1979.

引用

页码：142 / 150

页数：9

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