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Formulation of perfect-crystal diffraction from Takagi-Taupin equations. Numerical implementation in the crystalpy library

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arxiv 2406.16960 v1 pith:RM3BZNUV submitted 2024-06-21 physics.comp-ph cond-mat.mtrl-sciphysics.optics

classification physics.comp-phcond-mat.mtrl-sciphysics.optics
keywords equationscrystalcrystalpylibrarynumericaltakagi-taupinadaptedamplitudes
verification ladder T0 review T1 audit T2 compute T3 formal
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The Takagi-Taupin equations are solved in their simplest form (zero deformation) to obtain the Bragg-diffracted and transmitted complex amplitudes. The case of plane-parallel crystal plates is discussed using a matrix model. The equations are implemented in an open-source python library crystalpy adapted for numerical applications such as crystal reflectivity calculations and ray tracing.

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