Temperature-dependent X-ray dynamical diffraction: Darwin theory simulations. 1999

Chung, and Durbin
Department of Physics, Purdue University, West Lafayette, IN 47907-1396, USA.

Thermal vibrations destroy the perfect crystalline periodicity generally assumed by dynamical diffraction theories. This can lead to some difficulty in deriving the temperature dependence of X-ray reflectivity from otherwise perfect crystals. This difficulty is overcome here in numerical simulations based on the extended Darwin theory, which does not require periodicity. Using Si and Ge as model materials, it is shown how to map the lattice vibrations derived from measured phonon dispersion curves onto a suitable Darwin model. Good agreement is observed with the usual Debye-Waller behavior predicted by standard theories, except at high temperatures for high-order reflections. These deviations are discussed in terms of a possible breakdown of the ergodic hypothesis for X-ray diffraction.

UI MeSH Term Description Entries

Related Publications

Chung, and Durbin
May 2016, Acta crystallographica. Section A, Foundations and advances,
Chung, and Durbin
September 2013, Journal of synchrotron radiation,
Chung, and Durbin
June 1991, Physical review. B, Condensed matter,
Chung, and Durbin
May 2003, Acta crystallographica. Section A, Foundations of crystallography,
Chung, and Durbin
April 1988, Physical review. B, Condensed matter,
Chung, and Durbin
January 1994, Physical review. B, Condensed matter,
Chung, and Durbin
September 2016, Physical review letters,
Chung, and Durbin
March 2023, Acta crystallographica. Section A, Foundations and advances,
Copied contents to your clipboard!