get_atomic_scattering_parameters#

diffsims.structure_factor.get_atomic_scattering_parameters(element, unit=None)[source]#

Return the eight atomic scattering parameters a_1-4, b_1-4 for elements with atomic numbers Z = 1-98 from Table 12.1 in [DeGraef2007], which are themselves from [Doyle1968] and [Smith1962].

Parameters:

element (int or str) – Element to return scattering parameters for. Either one-two letter string or integer atomic number.
unit (str, optional) – Either “nm” or “Å”/”A”. Whether to return parameters in terms of Å^-2 or nm^-2. If None (default), Å^-2 is used.

Returns:

a (numpy.ndarray) – The four atomic scattering parameters a_1-4.
b (numpy.ndarray) – The four atomic scattering parameters b_1-4.

References

[DeGraef2007]

De Graef, M. E. McHenry, “Structure of Materials,” Cambridge University Press (2007).

[Doyle1968]

P. A. Doyle, P. S. Turner, “Relativistic Hartree-Fock X-ray and electron scattering factors,” Acta Cryst. 24 (1968), doi: https://doi.org/10.1107/S0567739468000756.

[Smith1962]

G. Smith, R. Burge, “The analytical representation of atomic scattering amplitudes for electrons,” Acta Cryst. A15 (1962), doi: https://doi.org/10.1107/S0365110X62000481.