[Ifeffit] Artemis: How to treat Neglected? DS path

Ravel, Bruce bravel at bnl.gov
Fri Feb 3 08:15:07 CST 2012

Hi Takahide,

See the first full paragraph below equation A.1 in Zabinski et al, Phys. Rev. B 52, 2995–3009 (1995), http://dx.doi.org/10.1103/PhysRevB.52.2995


From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of Takahide Yamaguchi [11nm023s at mcs.ibaraki.ac.jp]
Sent: Friday, February 03, 2012 3:31 AM
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] Artemis: How to treat Neglected? DS path

Dear all,

I have been analyzing some EXAFS data based on crystal structure by Artemis.

The model construction and analysis within the First shell had come
along OK.
And I would like to refine the analysis of higher shell including
multiple scattering.

But the problem about "How to treat the MS path(especially DS)" is
existing in the way to goal.

Generally, Considering triangle arrangement (A-B-C; A is Absorber, B is
nearest neighbor, C is the next neighbor)
offers the possibility of two double scattering paths.
Stated another way, the following two type can be readily considerable.

"Type I: A-->B-->C-->A and Type II; A-->C-->B-->A"

By calculation of FEFF on Artemis, a number of DS is computed and
listed, of course on my computer.
However, I could find JUST ONLY type II double scatter, no type I.

In this case, should I simply multiply the amplitude by two?

Or, are there reasonable answer to neglected type I path?

I will be glad with your help.

Best regards,

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Ifeffit at millenia.cars.aps.anl.gov

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