Download BornAgain User Manual - Scientific Computing Group
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Chapter 4 DWBA for multilayer systems In Sect. 3.1, we have discussed wave propagation and scattering in 2+1 dimensional systems that are translationally invariant in the horizontal π₯π¦ plane, and have a vertical refractive index proο¬le π2 (π§). Here we specialize to layered systems where π2 (π§) is a step function that is constant within one layer. First, only scalar interactions are considered. Later, the theory is extended to account for polarization eο¬ects. By convention, layers are numbered from top to bottom (see Fig. 4.1). The top vacuum (or air) layer (which extends to π§ β +β) has number 0, the substrate (extending to π§ β ββ) is layer π . All layer interfaces are assumed to be perfectly smooth. Support for rough interfaces is already implemented in BornAgain, but documentation is adjourned to a later edition of this manual. 4.1 Scalar case 4.1.1 Wave propagation and DWBA matrix element To compute scattering cross sections in DWBA, we ο¬rst need to determine the distorted wavefunctions ππ€ (π) for π inside the sample. The following derivation holds for the incoming wave (π€ = i) as well as for the back-traced detected wave (π€ = f). We consider wave propagation in one layer π with constant average refractive index π2 (π§) = π2π . A vacuum plane wave, impinging on a layered structure, is at each interface partly reο¬ected, partly refracted, so that the wavefunction inside a material layer has an upward and a downward propagating component, as per (3.10). Each component is a plane wave, with a wavevector π± π€π = πβ₯π€ ± πβπ€π π.Μ (4.1) As explained in connection with (3.4), the in-plane wavevector πβ₯π€ remains constant across layer interfaces. The vertical wavenumber is obtained from (3.5), 2 . πβπ€π = βπΎ 2 π2π β πβ₯π€ (4.2) 21