Dynamical effects in the integrated X-ray scattering intensity from imperfect crystals in Bragg diffraction geometry....

Area of Science:

• Solid State Physics
• Materials Science
• Crystallography

Background:

• Understanding X-ray diffraction in imperfect crystals is crucial for materials characterization.
• Microdefects and dynamical effects significantly alter X-ray scattering patterns.

Purpose of the Study:

• To derive analytical expressions for coherent and diffuse components of the integrated reflection coefficient in Bragg diffraction.
• To numerically analyze these expressions considering instrumental integration in reciprocal space.
• To investigate the impact of primary extinction and anomalous absorption on X-ray scattering intensity in relation to crystal imperfections.

Main Methods:

• Derivation of analytical expressions for integrated reflection coefficient components.
• Numerical analysis of these expressions under different integration dimensions (1D, 2D, 3D).
• Investigation of dynamical diffraction effects (primary extinction, anomalous absorption).

Main Results:

• Analytical expressions for coherent and diffuse X-ray reflection components were obtained.
• Numerical analysis revealed the influence of integration dimensions on intensity.
• Dynamical effects like primary extinction and anomalous absorption were shown to significantly impact scattering intensity in imperfect crystals.

Conclusions:

• The study provides a theoretical framework for analyzing X-ray diffraction in microdefect-containing crystals.
• Numerical results highlight the importance of considering instrumental integration and dynamical effects.
• Findings contribute to a better understanding of crystal structure imperfections and their influence on X-ray scattering.