Extending the Takagi-Taupin equations for x-ray nanobeam Bragg coherent diffraction

Abstract: We present a new approach for simulating x-ray nanobeam Bragg coherent diffraction patterns based on the Takagi-Taupin equations. Compared to conventional methods, the current approach can be universally applied to any weakly strained system including semi-infinite crystals that diffract dynamically. It addresses issues such as the curved wavefront and re-divergence of the focused incident beam. We show excellent agreement against experimental data on a strained La0.7Sr0.3MnO3 thin film on SrTiO3 substrate, and a path to extracting physical information using automatic differentiation.