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Symmetry role on the preedge X-ray absorption fine structure at the metal K edge
Wu ZY(吴自玉); Wu, ZY; Natoli, CR; Marcelli, A; Paris, E; Seifert, F; Zhang, J; Liu, T; Zhang J(张静); Liu T(刘涛)
Corresponding AuthorWu, ZY (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, POB 918, Beijing 100039, Peoples R China.
SubtypeArticle; Proceedings Paper
AbstractThe preedge features in a system with "even" symmetry, apart from quadrupolar transition contribution, are mainly dipolar in character, associated with the existence of unoccupied states made up of mixed cation-4p with higher-neighboring cation-3d orbitals, and reflect the density of states due to the medium-range order of the system. In "odd" symmetry materials these preedge features are the result of a transition from the 1s to a final density of states of p symmetry due to an unsymmetrical mixing of the ligand wave functions with the central cation 3d orbitals, similar to atetrahedral configuration. These results are validated for Fe as a photoabsorber by comparing XAS spectra of Fe2SiO4 (fayalite) to ab initio full multiple scattering calculations at the Fe K edge, but pertain to all systems containing sixfold-coordinated cations.
KeywordXANES symmetry electronic properties
Subject AreaInstruments & Instrumentation; Optics; Physics
Indexed BySCI
WOS SubjectInstruments & Instrumentation ; Optics ; Physics, Applied
WOS IDWOS:000167298100038
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Document Type期刊论文
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GB/T 7714
Wu ZY,Wu, ZY,Natoli, CR,et al. Symmetry role on the preedge X-ray absorption fine structure at the metal K edge[J]. JOURNAL OF SYNCHROTRON RADIATION,2001,8(2):#REF!.
APA 吴自玉.,Wu, ZY.,Natoli, CR.,Marcelli, A.,Paris, E.,...&刘涛.(2001).Symmetry role on the preedge X-ray absorption fine structure at the metal K edge.JOURNAL OF SYNCHROTRON RADIATION,8(2),#REF!.
MLA 吴自玉,et al."Symmetry role on the preedge X-ray absorption fine structure at the metal K edge".JOURNAL OF SYNCHROTRON RADIATION 8.2(2001):#REF!.
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