Kinematic approximation 2026-10-25
In the kinematic approximation, each incident wave scatters once, so the total scattering amplitude is the coherent sum of single-atom amplitudes. Multiple scattering and depletion of the incident beam are neglected. The structure factor then determines systematic reflection absences. Strong multiple scattering can violate an absence predicted in this approximation.
Use the scattering vector ; reversing its sign conjugates the following amplitudes without changing the intensities. In the kinematic approximation, the atomic scattering factor of atom is
Atoms at therefore give the scattering amplitude
Here is the single-electron amplitude; is the unit cell structure factor, and is the geometrical lattice sum. If the crystal has repeats along , the latter factor is a product of geometric series, whose magnitudes contain
The sharp constructive peaks occur when every . Thus a permitted reflection has wavevector change equal to a reciprocal lattice vector, with and the additional elastic condition . A finite crystal broadens these peaks; it does not impose an exact delta-function selection on every scattered photon.
In the electron-count estimate , , the structure factors are and . Thus a single-directed-reflection estimate is
A powder X-ray diffraction peak collects all equivalent reflections. The powder diffraction multiplicities are eight for and six for , so the multiplicity-and-electron-count estimate is
At the two sublattice amplitudes are opposite in phase and nearly cancel; at their relative phase is a quarter cycle, so this cancellation does not occur. In silicon, the two atomic scattering factors are identical and the diamond cubic structure has an exactly forbidden reflection, while remains allowed in the kinematic approximation.
The numerical ratio neglects the angular dependence of the atomic scattering factors, the Lorentz-polarization factor and thermal-motion corrections. No wavelength or measurement geometry is supplied to refine those factors. This is therefore a stated structural estimate, rather than a unique precision ratio of measured peak areas.