THEORETICAL AND EXPERIMENTAL STUDIES OF BAND FORMATION IN CO ADLAYERS

被引：35

作者：

BATRA, IP ^{[1
]}

HERMANN, K ^{[1
]}

BRADSHAW, AM ^{[1
]}

HORN, K ^{[1
]}

机构：

[1] MAX PLANCK GESELL,FRITZ HABER INST,D-1000 BERLIN 33,FED REP GER

来源：

PHYSICAL REVIEW B | 1979年 / 20卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.20.801

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have performed electronic-structure calculations using the extended tight-binding method for two-dimensional isolated layers of CO molecules corresponding to the ordered arrays formed on a Pd(100) surface. We find that the calculated width and shape of the 4-derived band is in good agreement with angular-resolved photoemission results from this system. The calculated widths of the 5- and 1-derived bands are much greater than that of the 4-derived band, reflecting their more delocalized nature. In the photoemission experiment some dispersion is detected on the 5+1composite level but it was not possible to separate out the component bands. © 1979 The American Physical Society.

引用

页码：801 / 808

页数：8

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