Skip to main content
SpringerLink
Log in
Book cover

Uniting Electron Crystallography and Powder Diffraction pp 183–193Cite as

Pair Distribution Function Technique: Principles and Methods

  • Conference paper
  • First Online:

Abstract

One of the frontiers when studying complex and nanostructured materials is the characterization of structure on the nanoscale. We describe how the atomic pair distribution function analysis of powder diffraction data can be used to this end, and what kind of structural information can be obtained in different situations.

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   169.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   249.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD   219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

References

  1. Dinnebier RE, Billinge SJL (2008) Powder diffraction: theory and practice. The Royal Society of Chemistry, Cambridge

    Book  Google Scholar 

  2. Billinge SJL, Levin I (2007) The problem with determining atomic structure at the nanoscale. Science 316:561–565

    Article  ADS  Google Scholar 

  3. Egami T, Billinge SJL (2003) Underneath the Bragg peaks: structural analysis of complex materials. Pergamon Press/Elsevier, Oxford

    Google Scholar 

  4. Masadeh AS, Bozin ES, Farrow CL, Paglia G, Juhás P, Karkamkar A, Kanatzidis MG, Billinge SJL (2007) Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis. Phys Rev B 76:115413

    Article  ADS  Google Scholar 

  5. Soper AK (1996) Empirical potential Monte Carlo simulation of fluid structure. Chem Phys 202:295–306

    Article  ADS  Google Scholar 

  6. Billinge SJL, Kanatzidis MG (2004) Beyond crystallography: the study of disorder nanocrystallinity and crystallographically challenged materials. Chem Commun 2004:749–760

    Article  Google Scholar 

  7. Proffen T, Billinge SJL, Egami T, Louca D (2003) Structural analysis of complex materials using the atomic pair distribution function – a practical guide. Z Kristallogr 218:132–143

    Article  Google Scholar 

  8. Warren BE (1999) X-ray diffraction. Dover, New York

    Google Scholar 

  9. Klug HP, Alexander LE (1974) X-ray diffraction procedures for polycrystalline and amorphous materials, 2nd edn. Wiley, New York

    Google Scholar 

  10. Levashov VA, Billinge SJL, Thorpe MF (2005) Density fluctuations and the pair distribution function. Phys Rev B 72:024111

    Article  ADS  Google Scholar 

  11. Chupas PJ, Xiangyun Qiu, Hanson JC, Lee PL, Grey CP, Billinge SJL (2003) Rapid acquisition pair distribution function analysis (RA-PDF). J Appl Crystallogr 36:1342–1347

    Article  Google Scholar 

  12. URL:http://www.ccp14.ac.uk/

  13. Information can be found at the ISIS disordered materials group website: http://www.isis.rl.ac.uk/disordered/dmgroup_home.htm

  14. URL: http://pdfgetn.sourceforge.net/

  15. Xiangyun Qiu, Thompson JW, Billinge SJL (2004) PDFgetX2: a GUI driven program to obtain the pair distribution function from X-ray powder diffraction data. J Appl Crystallogr 37:678

    Article  Google Scholar 

  16. URL: http://www.pa.msu.edu/cmp/billinge-group/programs/PDFgetX2/

  17. Wyckoff RWG (1967) Crystal structures, vol 1, 2nd edn. Wiley, New York

    Google Scholar 

  18. Price DL, Saboungi ML (1998) Anomalous X-ray scattering from disordered materials. In: Billinge SJL, Thorpe MF (eds) Local structure from diffraction. Plenum, New York

    Google Scholar 

  19. Farrow CL, Juhás P, Jiwu Liu, Bryndin D, Bozin ES, Bloch J, Proffen T, Billinge SJL (2007) PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals. J Phys Condens Mat 19:335219

    Article  Google Scholar 

  20. URL: http://www.diffpy.org/

  21. Young RA (1993) The Rietveld method, vol 5 of international union of crystallography monographs on crystallography. Oxford University Press, Oxford

    Google Scholar 

Download references

Acknowledgements

Work in the Billinge group is supported by the US-Department of Energy, Office of Science, through grant DE-AC02-98CH10886 and by the US National Science Foundation through grant DMR-0703940.

Author information

Authors and Affiliations

  1. Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA

    Simon J. L. Billinge

  2. Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY, 11973, USA

    Simon J. L. Billinge

Authors
  1. Simon J. L. Billinge
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Simon J. L. Billinge .

Editor information

Editors and Affiliations

  1. , Institute of Physical Chemistry, Johannes Gutenberg University, Welderweg 11, Mainz, 55128, Germany

    Ute Kolb

  2. , School of Pharmacy, University of Reading, Whiteknights, Reading, RG6 6AP, United Kingdom

    Kenneth Shankland

  3. , Department of Materials Engineering, Ben-Gurion University of the Negev, Marcus Family Campus, Beer-Sheva, 84105, Israel

    Louisa Meshi

  4. Inst. Crystallography, Russian Academy of Sciences, Leninskii prospect 59, Moscow, 119333, Russia

    Anatoly Avilov

  5. , Isis Facility, STFC Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, OX11 0QX, United Kingdom

    William I.F David

Rights and permissions

Reprints and permissions

Copyright information

© 2012 Springer Science+Business Media Dordrecht

About this paper

Cite this paper

Billinge, S.J.L. (2012). Pair Distribution Function Technique: Principles and Methods. In: Kolb, U., Shankland, K., Meshi, L., Avilov, A., David, W. (eds) Uniting Electron Crystallography and Powder Diffraction. NATO Science for Peace and Security Series B: Physics and Biophysics. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-5580-2_17

Download citation

  • DOI: https://doi.org/10.1007/978-94-007-5580-2_17

  • Published:

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-007-5579-6

  • Online ISBN: 978-94-007-5580-2

  • eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)

Publish with us

Policies and ethics

Search

Navigation