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题名: Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation
作者: Ji, Wei ;  Lu, Zhong-Yi ;  Gao, Hongjun
刊名: PHYSICAL REVIEW LETTERS
出版日期: 2006
卷号: 97, 期号:24, 页码:-
关键词: AUGMENTED-WAVE METHOD ;  ORGANIC-MOLECULES ;  METAL-SURFACES
学科分类: Physics
通讯作者: Ji, W , Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
部门归属: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China; Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China; Chinese Acad Sci, Inst Theoret Phys, Beijing 100080, Peoples R China
英文摘要: The 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.
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000242888700047
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/5815
Appears in Collections:理论物理所1978-2010年知识产出_期刊论文

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Recommended Citation:
Ji, Wei,Lu, Zhong-Yi,Gao, Hongjun. Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation[J]. PHYSICAL REVIEW LETTERS,2006,97(24):-.
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