Modified statistical dynamical diffraction theory: analysis of model SiGe heterostructures.

A modified version of the statistical dynamical diffraction theory (mSDDT) permits full-pattern fitting of high-resolution X-ray diffraction scans from thin-film systems across the entire range from fully dynamic to fully kinematic scattering. The mSDDT analysis has been applied to a set of model SiGe/Si thin-film samples in order to define the capabilities of this approach. For defect-free materials that diffract at the dynamic limit, mSDDT analyses return structural information that is consistent with commercial dynamical diffraction simulation software. As defect levels increase and the diffraction characteristics shift towards the kinematic limit, the mSDDT provides new insights into the structural characteristics of these materials.