Dynamical calculation of crystal truncation rods for surfaces and interfaces using a Cartesian coordinate transformation technique

摘要

[[abstract]]A dynamical calculation scheme that employs Cartesian coordinates with a z axis normal to the crystal surface to define polarization unit vectors and wavefields is applied to interpret the intensity distribution of crystal truncation rods for surfaces and interfaces. A comparison between this calculation scheme and the asymptotic iteration approach using the conventional presentation of the polarization components of the wavefields, with the sigma and pi components perpendicular to the wavevectors, is presented. It is found that the use of Cartesian coordinate systems can provide correct boundary conditions in determining the wavefield amplitudes, thus leading to a rigorous and general calculation scheme for dynamical diffraction from surfaces and interfaces.