International
Tables for
Crystallography
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

International Tables for Crystallography (2006). Vol. C. ch. 4.2, p. 219

Section 4.2.3.4.2. X-ray absorption near edge structure (XANES)

D. C. Creaghb

4.2.3.4.2. X-ray absorption near edge structure (XANES)

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In Fig. 4.2.3.2(c)[link], there appears to be one cycle of strong oscillation in the neighbourhood of the absorption edge before the quasi-periodic variation of the XAFS commences. The electrons that cause this strong modulation of the photoelectric scattering cross section have low k values, and the electron is strongly scattered by neighbouring atoms. It was mentioned in §4.2.3.4.1[link] that conventional XAFS theory assumes a weak, single-scattering interaction between the ejected photoelectron and its environment. A schematic diagram illustrating the difference between single- and multiple-scattering processes is given in Fig. 4.2.3.5[link] . Evidently, the multiple-scattering process is very complicated and a discussion of the theory of XANES is too complex to be given here. The reader is directed to papers by Pendry (1983[link]), Lee (1981[link]), and Durham (1983[link]). A more recent review of the study of fine structure in ionization cross sections and their use in surface science has been given by Woodruff (1986[link]).

[Figure 4.2.3.5]

Figure 4.2.3.5| top | pdf |

Schematic representations of the scattering processes undergone by the ejected photoelectron in the single-scattering (XAFS) case and the full multiple-scattering regime (XANES).

The data from XANES experiments can be analysed to determine structural information such as coordination geometry, the symmetry of unoccupied valence electronic states, and the effective charge on the absorbing atom (Natoli, Misemer, Doniach & Kutzler, 1980[link]; Kutzler, Natoli, Misemer, Doniach & Hodgson, 1981[link]). XANES experiments have been performed to resolve many problems, inter alia: the origin of white lines (Lengeler, Materlik & Müller, 1983[link]); absorption of gases on metal surfaces (Norman, Durham & Pendry, 1983[link]); the effect of local symmetry in 3d elements (Petiau & Calas, 1983[link]); and the determination of valence states in materials (Lereboures, Dürr, d'Huysser, Bonelle & Lenglet, 1980[link]).

References

First citation Durham, P. J. (1983). Multiple scattering calculations of XANES. EXAFS and near edge structure, edited by A. Bianconi, L. Incoccia & S. Stipcich, pp. 37–43. Berlin: Springer.Google Scholar
First citation Kutzler, F. W., Natoli, C. R., Misemer, D. K., Doniach, S. & Hodgson, K. O. (1981). Use of one electron theory for the interpretation of near edge structure in K-shell X-ray absorption spectra of transition metal complexes. J. Chem. Phys. 73, 3274–3288.Google Scholar
First citation Lee, P. A. (1981). Theory of extended X-ray absorption fine structure. EXAFS spectroscopy: techniques and applications, edited by B. K. Teo & D. C. Joy, Chap. 2, pp. 5–13. New York: Plenum.Google Scholar
First citation Lengeler, B., Materlik, G. & Müller, J. E. (1983). Near edge structure in cerium and cerium compounds. EXAFS and near edge structure, edited by A. Bianconi, L. Incoccia & S. Stipcich, pp. 150–153. Berlin: Springer.Google Scholar
First citation Lereboures, B., Dürr, J., d'Huysser, A., Bonelle, J. P. & Lenglet, M. (1980). Phys. Status Solidi, 62, K175.Google Scholar
First citation Natoli, C. R., Misemer, D. K., Doniach, S. & Kutzler, F. W. (1980). First principles calculation of X-ray absorption edge structure in molecular clusters. Phys. Rev. A, 22, 1104–1108.Google Scholar
First citation Norman, D., Durham, P. J. & Pendry, J. B. (1983). The absorption of oxygen on nickel (001) studied by XANES. EXAFS and near edge structure, edited by A. Bianconi, L. Incoccia & S. Stipcich, pp. 144–146. Berlin: Springer.Google Scholar
First citation Pendry, J. B. (1983). The transition region between XANES and EXAFS. EXAFS and near edge structure, edited by A. Bianconi, L. Incoccia & S. Stipcich, pp. 4–10. Berlin: Springer.Google Scholar
First citation Petiau, J. & Calas, G. (1983). EXAFS for inorganic systems, pp. 127–129. Daresbury: SRC.Google Scholar
First citation Woodruff, D. P. (1986). Fine structure in ionization cross sections and applications to surface science. Rep. Prog. Phys. 49, 683–723.Google Scholar








































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