Transition metals on the MgO(100) surface:: Evolution of adsorption characteristics along the 4d series

被引：49

作者：

Goniakowski, J ^{[1
]}

机构：

[1] CNRS, Ctr Rech Mecanismes Croissance Cristalline, F-13288 Marseille 9, France

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.59.11047

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a first-principles study of adsorption of 4d transition metals on the stoichiometric MgO (100) surface. We show that although the calculated evolution of adsorption energy along the series depends strongly on the adsorption site, the tendency of metal atoms to adsorb above the surface oxygen proves general. By analyzing the substrate-induced modifications of the electronic structure of the metal deposit we relate non-monotonous evolution of adsorption energy found for this site to changes of cohesion of the deposited metal. [S0163-1829(99)09015-3].

引用

页码：11047 / 11052

页数：6

共 30 条

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