High resolution X-ray Diffraction

This module contains factory functions for functors, which allow to simulate dynamical x-ray diffraction from strained crystals, multilayers, and superlattices.

The formalism is based on Stepanov et al publication 1

The module allows to estimate the following profiles of structure parameters in multilayers:

  • Normal lattice strains

  • Crystal susceptibility \(\chi_0\), \(\chi_h\)

  • Interface roughness

The Debay-Waller factors can be easily added to the model as dependent parameters.

The effects of lateral strains (relaxed multilayers, misfit dislocations, etc) are not simulated by this functor.


S.A.Stepanov, E.A.Kondrashkina, R.Koehler, D.V.Novikov, G.Materlik, and S.M.Durbin, “Dynamical x-ray diffraction of multilayers and superlattices: Recursion matrix extension to grazing angles”, Phys. Rev. B, 57, (1998) 4829-4841.

escape.scattering.spechrxrd.spechrxrd(name, variable_obj p0, multilayer_obj ml, h, k, l, beta=1.0, formalism='2x2')

Factory function for creating functor object for calculation of high resolution X-Ray diffraction.

p0: variable_obj

Variable, which represents z-component of wave-vector of incoming wave

ml: multilayer_obj

Sample description object

h: integer

Miller index of Bragg reflection

k: integer

Miller index of Bragg reflection

l: integer

Miller index of Bragg reflection

beta: double

Asymmetry factor \(eta=g_0/g_h\)

‘formalism’: string

‘2x2’ matrix formalism works correctly far away from grazing incidence mode ‘4x4’ matrix formalism is valid for the whole range


functor_obj instance