Local and nonlocal effects in the core ionization of metal-molecule adsorbates and cluster systems

被引：10

作者：

Dobrodey, NV ^{[1
]}

Cederbaum, LS

Tarantelli, F

机构：

[1] Univ Heidelberg, Inst Theoret Astrophys, D-69121 Heidelberg, Germany

[2] Univ Heidelberg, D-69120 Heidelberg, Germany

[3] Univ Perugia, CNR, Dipartimento Chim, I-06123 Perugia, Italy

[4] Univ Perugia, CNR, Ctr Studi CISM, I-06123 Perugia, Italy

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.61.7336

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An nb initio Green's function comparative study of the Cls ionization of PdCO and Pd3CO clusters has revealed distinct nonlocal effects in the spectrum of Pd3CO. A good agreement with the experimental Cls spectrum of CO adsorbed on small Pd particles is achieved. A breakdown of individual charge transfer (CT) satellites associated with the basic PdCO unit of Pd3CO has been discovered. This breakdown is due to the coupling of the individual local CT states to a manifold of nonlocal double metal-adsorbate excitations and leads to a broadening of the giant satellites in adsorbate core-hole spectra.

引用

页码：7336 / 7339

页数：4

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