High resolution X-ray Diffraction¶
This module contains methods to create 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.
- escape.scattering.spechrxrd.spechrxrd(name, p0, multilayer_obj ml, h, k, l, beta=1.0, formalism=u'2x2', source=None)¶
Returns functor object for calculation of high resolution X-Ray diffraction.
- Parameters:
- p0: functor_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 \(\beta=g_0/g_h\)
- ‘formalism’: string
‘2x2’ matrix formalism works correctly far away from grazing incidence mode ‘4x4’ matrix formalism is valid for the whole range
- source: source_obj
Source description object
- Returns:
functor_obj instance