Determination of partial pair distribution functions in amorphous Ge15Te85 by simultaneous RMC simulation of diffraction and EXAFS data

I. Kaban, P. Jóvári, W. Hoyer, E. Welter

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

The atomic structure of amorphous Ge15Te85 has been studied by X-ray absorption spectroscopy (EXAFS) at Ge K-edge. EXAFS data were modeled simultaneously with existing X-ray and neutron diffraction measurements by the reverse Monte Carlo (RMC) simulation technique. Combination of the three independent measurements allowed separation of the partial pair correlation functions gGeTe(r) and gTeTe(r) and estimation of the corresponding coordination numbers.

Original languageEnglish
Pages (from-to)2474-2478
Number of pages5
JournalJournal of Non-Crystalline Solids
Volume353
Issue number24-25
DOIs
Publication statusPublished - Jul 15 2007

Fingerprint

Distribution functions
Diffraction
distribution functions
X ray absorption spectroscopy
Neutron diffraction
coordination number
diffraction
atomic structure
neutron diffraction
absorption spectroscopy
x rays
simulation
X ray diffraction
Monte Carlo simulation

Keywords

  • Chalcogenides
  • Monte Carlo simulations
  • Neutron diffraction/scattering
  • Short-range order
  • X-ray diffraction

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

Determination of partial pair distribution functions in amorphous Ge15Te85 by simultaneous RMC simulation of diffraction and EXAFS data. / Kaban, I.; Jóvári, P.; Hoyer, W.; Welter, E.

In: Journal of Non-Crystalline Solids, Vol. 353, No. 24-25, 15.07.2007, p. 2474-2478.

Research output: Contribution to journalArticle

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AU - Welter, E.

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AB - The atomic structure of amorphous Ge15Te85 has been studied by X-ray absorption spectroscopy (EXAFS) at Ge K-edge. EXAFS data were modeled simultaneously with existing X-ray and neutron diffraction measurements by the reverse Monte Carlo (RMC) simulation technique. Combination of the three independent measurements allowed separation of the partial pair correlation functions gGeTe(r) and gTeTe(r) and estimation of the corresponding coordination numbers.

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