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mlz
BornAgain
Commits
0bfabe57
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0bfabe57
authored
1 year ago
by
Wuttke, Joachim
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ingest subsection from Stratified.tex
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!1657
Ingest several internal reports into DevRef
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...
...
@@ -781,6 +781,45 @@ The following cases are treated seperately:
of non-vacuum layer always contains an absorptive component.
\end{itemize}
%==================================================================================================%
\subsection
{
Opaque layers and evanescent waves
}
\label
{
Sevawa
}
%==================================================================================================%
TODO: Rework this fragment (ingested 29may23 from ba-intern/theory/Stratified.tex).
For incident angles below the critical angle
$
\alpha
_
i <
\alpha
_
c
$
(also at interfaces inside the sample), the
$
k
_
z
$
-component of the wave vector turns imaginary.
This situation then corresponds to an evanescent wave.
As a consequence, the phase factor
$
\delta
$
\eqref
{
Ddell
}
turns real and describes the exponential decrease
of the amplitudes
$
t
_
j
$
,
$
r
_
j
$
in the corresponding layer.
For large layer thicknesses, this means that
$
\delta
$
rapidly approaches zero, and its inverse becomes very large.
This leads to an increasingly ill-conditioned transfer matrix
\eqref
{
Etransfer
_
matrix
_
BA
}
, until,
at some point, both quantities underflow or overflow, leading to invalid numerical results.
As the simulation approaches this singular situation, the amplitudes
$
t
_
j
$
and
$
r
_
j
$
will
rapidly increase towards the top of a sample and potentially overflow at some point
before the computation reaches the top layer.
Intuitively, this can easily be understood as follows.
As we impose the boundary condition
$
t
_
J
=
1
$
,
$
r
_
J
=
0
$
in the substrate for incident
angles below the critical angle with
$
T
=
0
$
,
$
R
=
1
$
, this means,
that we must find
$
t
_
0
\to
\infty
$
.
Obviously, this cannot be implemented numerically in a sane manner.
In order to detect and handle this over/underflow, BornAgain checks for an
overflow of
$
t
_
j
$
.
%As soon as this situation is encountered, the computation is stopped and
%restarted in order to find the deepest layer where a valid numerical result is obtained.
%Practically, this is done by a bisection algorithm for minimizing the computational load.
It must be mentioned though, that this algorithm still fails if a very thick layer is encountered.
This will lead to the immediate underflow of
$
\delta
$
and hence to an overflow of~
$
\delta
^{
-
1
}$
.
This means, that the transmission of a single layer is within the numerical precision zero,
but the mathematical formulation applied cannot handle this corner case and the computation still crashes.
Therefore, the only way to circumvent this problem is by restarting the computation from the
current layer by reapplying the boundary condition
$
t
_
j
=
1
, r
_
j
=
0
$
and
setting all amplitudes in the layers below to zero.
%===============================================================================
\subsection
{
Flux, evanescent waves
}
\label
{
SSpecial
}
%===============================================================================
...
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