Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation

CORC > 理论物理研究所 > 中国科学院理论物理研究所 > 理论物理所科研产出 > 理论物理所1978-2010年知识产出

	Electron core-hole interaction and its induced ionic structural relaxation in molecular systems under x-ray irradiation
	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
刊名	PHYSICAL REVIEW LETTERS
	2006
卷号	97 期号:24 页码:-
关键词	Augmented-wave Method Organic-molecules Metal-surfaces
ISSN号	0031-9007
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.
学科主题	Physics
URL标识	查看原文
WOS记录号	WOS:000242888700047
公开日期	2012-08-02
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/5815]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Ji, W , Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
推荐引用方式 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):-.