diffsims.structure_factor.get_doyleturner_atomic_scattering_factor(atom, scattering_parameter, unit_cell_volume)[source]#

Return the atomic scattering factor f for a certain atom and scattering parameter using Doyle-Turner atomic scattering parameters [Doyle1968].

Assumes structure’s Debye-Waller factors are expressed in Ångströms.

This function is adapted from EMsoft.

  • atom (diffpy.structure.atom.Atom) – Atom with element type, Debye-Waller factor and occupancy number.

  • scattering_parameter (float) – The scattering parameter s for these Miller indices describing the crystal plane in which the atom lies.

  • unit_cell_volume (float) – Volume of the unit cell.


f – Scattering factor for this atom on this plane.

Return type: