THEORY OF ELECTRONIC-STRUCTURE AND OVERLAYER STRUCTURES OF OXYGEN ON THE NICKEL (001) SURFACE

被引：14

作者：

GALLAGHER, JM

HAYDOCK, R

HEINE, V

机构：

[1] Cavendish Laboratory, Cambridge CB3 OHE, Madingley Road

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1979年 / 12卷 / 01期

关键词：

D O I：

10.1088/0022-3719/12/1/004

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The series of overlayer structures for O on the Ni (001) surface are explained in terms of a local orbital for the O atom which is very spread out parallel to the surface, and includes bonding overlap with neighbouring Ni 4s4p states. These orbitals give rise to Van der Waals attraction at large O-O separation and closed-shell repulsion at shorter distances, and are consistent with a small net change of workfunction.

引用

页码：L13 / L16

页数：4

共 20 条

[1] CLUSTER MODEL CALCULATIONS FOR ELECTRONIC-ENERGY LEVELS OF OXYGEN CHEMISORBED ON NI [J].