RELATIVE STABILITY OF TERNARY ADSORPTION SITES ON (111)FCC AND (0001)HCP TRANSITION-METAL SURFACES

被引：1

作者：

PIVETEAU, B ^{[1
]}

SPANJAARD, D ^{[1
]}

DESJONQUERES, MC ^{[1
]}

机构：

[1] UNIV PARIS 11,PHYS SOLIDES LAB,F-91405 ORSAY,FRANCE

来源：

SURFACE SCIENCE | 1993年 / 287卷 / pt B期

关键词：

D O I：

10.1016/0039-6028(93)91105-X

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：

In order to shed some light on the problem of crystal growth we here present a theoretical study of the relative stability of ternary adsorption sites on a close-packed surface of a hcp or fcc transition metal. We find that on Ir(111) the relative stability of the normal and fault sites varies with the nature of the adatom, which is in very good agreement with experiments: a single Ir adatom prefers the fault site, while an adatom with a larger d-band filling is more stable at a normal site. A similar calculation is carried out on Ru(0001) and predictions are made concerning the relative stability of these two adsorption sites.

引用

页码：946 / 949

页数：4

共 11 条

[1] ANALYTIC INTEGRATION OF THE CONTINUED-FRACTION EXPANSION OF A DENSITY OF STATES [J].