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Darwin's approach to X-ray diffraction on lateral crystalline structures.

Vasily I Punegov1, Sergey I Kolosov1, Konstantin M Pavlov2

  • 1Komi Research Center, Ural Division, Russian Academy of Sciences, 167982, Syktyvkar, Russian Federation.

Acta Crystallographica. Section A, Foundations and Advances
|January 15, 2014
PubMed
Summary

Darwin

Keywords:
Darwin's dynamical theoryX-ray diffractionlateral crystalslateral structuresreciprocal-space maps

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Area of Science:

  • Solid-state physics
  • Crystallography
  • Materials science

Background:

  • Darwin's dynamical theory is fundamental for understanding X-ray diffraction.
  • Previous models primarily focused on infinite or bulk crystalline structures.
  • Analyzing finite-sized crystalline structures presents unique challenges.

Purpose of the Study:

  • To extend Darwin's dynamical theory of X-ray diffraction.
  • To accommodate crystalline structures with finite lateral dimensions.
  • To enable calculations for laterally confined crystal geometries.

Main Methods:

  • Theoretical extension of Darwin's dynamical theory.
  • Development of computational models for X-ray diffraction.
  • Numerical simulations of rocking curves and reciprocal-space maps.
  • Analysis of structures with rectangular cross-sections and varying lateral sizes.

Main Results:

  • The extended theory successfully models X-ray diffraction in laterally finite crystals.
  • Rocking curves and reciprocal-space maps can be computed for rectangular structures.
  • The validity of the kinematical approximation was investigated for specific geometries.
  • Lateral size significantly influences diffraction patterns.

Conclusions:

  • The extended dynamical theory provides a robust framework for X-ray diffraction in finite crystals.
  • Numerical modeling is crucial for understanding diffraction in laterally confined systems.
  • The kinematical approximation is applicable under specific conditions of thickness and lateral confinement.