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Oxygen-metal bonding in Ti-bearing compounds from O 1 s spectra and ab initio full multiple-scattering calculations
Wu ZY(吴自玉); Wu, ZY; Paris, E; Langenhorst, F; Seifert, F
2002
发表期刊JOURNAL OF SYNCHROTRON RADIATION
卷号9期号:6页码:394-400
通讯作者Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100039, Peoples R China ; Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy ; Univ Camerino, Dipartimento Sci Terra, I-62032 Camerino, Italy ; Univ Camerino, INFM, I-62032 Camerino, Italy ; Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany
文章类型Article; Proceedings Paper
摘要The O K-edge spectra of a series of Ti-bearing compounds with Ti in different structural and chemical environments have been measured using electron energy-loss spectroscopy and analyzed using ab initio full multiple-scattering (MS) calculations. The near-edge structures arise mainly from covalency by direct and/or indirect interaction between O and metal atoms and between O and Si atoms. The coordination number of the cation and the site symmetry also influence the spectral shape and structures. Using different size clusters around the excited atom in the full MS simulation, it is possible to interpret and assign the features present in the spectra of each compound to its specific atomic arrangement and electronic structure.
关键词oxygen-metal bonding Ti-bearing compounds electron energy-loss spectroscopy ab initio full multiple-scattering calculations coordination numbers site symmetry
学科领域Instruments & Instrumentation; Optics; Physics
DOI10.1107/S0909049502014000
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语种英语
WOS研究方向Instruments & Instrumentation ; Optics ; Physics
WOS类目Instruments & Instrumentation ; Optics ; Physics, Applied
WOS记录号WOS:000179049100011
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被引频次:8[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/237302
专题多学科研究中心
作者单位中国科学院高能物理研究所
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Wu ZY,Wu, ZY,Paris, E,et al. Oxygen-metal bonding in Ti-bearing compounds from O 1 s spectra and ab initio full multiple-scattering calculations[J]. JOURNAL OF SYNCHROTRON RADIATION,2002,9(6):394-400.
APA 吴自玉,Wu, ZY,Paris, E,Langenhorst, F,&Seifert, F.(2002).Oxygen-metal bonding in Ti-bearing compounds from O 1 s spectra and ab initio full multiple-scattering calculations.JOURNAL OF SYNCHROTRON RADIATION,9(6),394-400.
MLA 吴自玉,et al."Oxygen-metal bonding in Ti-bearing compounds from O 1 s spectra and ab initio full multiple-scattering calculations".JOURNAL OF SYNCHROTRON RADIATION 9.6(2002):394-400.
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