get_doyleturner_atomic_scattering_factor

diffsims.structure_factor.get_doyleturner_atomic_scattering_factor(atom, scattering_parameter, unit_cell_volume)

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.

Parameters:

atomdiffpy.structure.atom.Atom

Atom with element type, Debye-Waller factor and occupancy number.

scattering_parameterfloat

The scattering parameter s for these Miller indices describing the crystal plane in which the atom lies.

unit_cell_volumefloat

Volume of the unit cell.

Returns:

ffloat

Scattering factor for this atom on this plane.