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Ji, Wei; Lu, Zhong-Yi; Gao, Hongjun; Ji, W , Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation
Source PublicationPHYSICAL REVIEW LETTERS
KeywordAugmented-wave Method Organic-molecules Metal-surfaces
AbstractThe experiments on perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride and 16FCuPc on Ag(111) surfaces by the normal incidence x-ray standing wave are poorly reproduced by first-principles ground state calculations but well reproduced by considering initial- and final-state effects, which include the response of the valence electrons to screen a core hole created by x-ray photoemission and further induced ionic structural relaxation. This study shows that the initial- and final-state effects due to screening are of great importance in characterizing molecules on metal surfaces in the normal incidence x-ray standing wave experiments.
2006
ISSN0031-9007
Volume97Issue:24Pages:-
Subject AreaPhysics
Indexed BySCI
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/5815
Collection理论物理所科研产出_SCI论文
Corresponding AuthorJi, W , Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Ji, Wei,Lu, Zhong-Yi,Gao, Hongjun,et al. Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation[J]. PHYSICAL REVIEW LETTERS,2006,97(24):-.
APA Ji, Wei,Lu, Zhong-Yi,Gao, Hongjun,&Ji, W , Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China.(2006).Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation.PHYSICAL REVIEW LETTERS,97(24),-.
MLA Ji, Wei,et al."Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation".PHYSICAL REVIEW LETTERS 97.24(2006):-.
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