Paper Title:
Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
  Abstract

The first order phase transition of CsFeO2 was investigated using synchrotron powder diffraction data as a function of temperature. Two alternative approaches were used to describe the deviation of the framework crystal structure relative to the high-symmetry parent structure: symmetry (a.k.a. distortion) modes and polyhedral-tilt parameters. In both cases, the relevant parameters were refined as a function of temperature using the method of parametric Rietveld refinement. We demonstrate a semi-automated and generally applicable method for the determination of spontaneous lattice strain variations, order parameters and power-law exponents as derived from Landau theory.

  Info
Periodical
Edited by
Paolo Scardi and Robert E. Dinnebier
Pages
79-95
DOI
10.4028/www.scientific.net/MSF.651.79
Citation
M. Müller, R. E. Dinnebier, N. Z. Ali, B. J. Campbell, M. Jansen, "Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature", Materials Science Forum, Vol. 651, pp. 79-95, 2010
Online since
May 2010
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