ADSORBATE-INDUCED RESTRUCTURING OF THE FE(100) SURFACE - MODEL CLUSTER STUDIES

被引：6

作者：

ARABCZYK, W ^{[1
]}

机构：

[1] TECH UNIV DRESDEN,SEKT PHYS,O-8027 DRESDEN,GERMANY

来源：

ACTA PHYSICA POLONICA A | 1992年 / 81卷 / 01期

关键词：

D O I：

10.12693/APhysPolA.81.109

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The Extended Huckel Theory (EHT) has been used to calculate the energy of iron clusters, Fe13, modelling an Fe(100) surface, as well as the energy of iron clusters with oxygen, Fe13-O, nitrogen, Fe13-N, or carbon atom, Fe13-C, adsorbed on a reconstructed/non-reconstructed surface. In order to determine the relative positions of iron atoms and of the adsorbed atom a sphere model was employed assuming displacement of only one iron atom.

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页码：109 / 115

页数：7

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