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Review of Scientific Instruments / Volume 79 / Issue 10 / CONDENSED MATTER; MATERIALS

Rev. Sci. Instrum. 79, 103902 (2008); http://dx.doi.org/10.1063/1.2991111 (6 pages)

A new procedure for the quantitative analysis of extended x-ray absorption fine structure data in total reflection geometry

F. Benzi1, I. Davoli1, M. Rovezzi2, and F. d’Acapito2

1Dipartimento di Fisica, Università di Roma. “Tor Vergata,” Via della Ricerca Scientifica 1, Roma I-00133, Italy
2CNR-INFM-OGG, c/o ESRF GILDA CRG, BP220 F-38043 Grenoble, France

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(Received 12 June 2008; accepted 8 September 2008; published online 8 October 2008)

A novel code for the analysis of extended x-ray absorption fine structure (EXAFS) data collected in total reflection mode (reflEXAFS) is presented. The procedure calculates the theoretical fine structure signals appearing in the reflectivity spectrum starting from the ab initio EXAFS calculations. These signals are then used in complex structural refinement (i.e., also including multiple scattering paths) with usual fitting programs of EXAFS data. A test case consisting in the analysis of a gold film collected at different incidence angles is presented in detail.

© 2008 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. PRINCIPLES OF OPERATION
  3. EXPERIMENTAL
  4. DATA ANALYSIS AND RESULTS
  5. CONCLUSIONS

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KEYWORDS and PACS

Keywords

ab initio calculations, chemical analysis, EXAFS

PACS

  • 78.70.Dm

    X-ray absorption spectra

  • 71.15.-m

    Methods of electronic structure calculations

  • 82.80.-d

    Chemical analysis and related physical methods of analysis

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2991111

PUBLICATION DATA

ISSN

0034-6748 (print)  
1089-7623 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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