[Ifeffit] Regarding calculations for scattering amplitude

pushkar shejwalkar pshejwalkar2004 at gmail.com
Thu Jan 21 03:01:57 CST 2016


Dear All,
   I sent a related question in the month of Dec but it seems that the
question did not appeared on list because of mailbox being full, as we all
have received an email. Since mailing list is started again I am sending
this question once more.
My question is actually regarding finding out the nanoparticle size. In
this respect, I am referring to Harris's work in which by using a simple
equation we can roughly estimate the nanoparticle size

J. Appl. Phys., Vol. 94, No. 1, 1 July 2003

 Now the question is that in this paper and another paper I found online as
well, it refers to Nnano and Nbulk. I am guessing that this is basically
coordination number of nanoparticle and bulk. But my first question is how
do I calculate it?? e.g. I am working on Pd K-edge. So should I fit Pd foil
with Pd crystal data and get the CN? but that would be 12 anyways. So would
Nbulk be 12 in that case? and what will be Nnano then?

In another context, CN is proportional to amplitude, so in that case is it
directly proportional? as in, can I simply replaced in formula, Nbulk/Nnano
with Amplitudebluk/amplitudenano?

Third thing is that, if above is true then how should/can I calculated the
amplitude? isnt that amplitude is always calculated by Feff? if so could
someone help me with the procedure to do so? How will I know amplitude for
nanoparticles, because I cannot have FEFF for nanoparticles, right?

I went through lot of material, however, so far my calculations give me a
solution that is vaguely correlated to TEM images. The TEM value is about
2nm (rouhgly 20 angstrom). my current values I am getting by solving the
equation by my current understanding is only 2Ao. about 10 times less. What
I am doing is simply plotting the crude data in athena to get x(R) Vs
radial distance graph, calculate A-3 for nanoparticles and bulk and using
this as amplitudes. It is possible that I may be doing something totally
irrelevant, so please help me in this aspect.

Thank you

Sincerely

Pushkar

-- 
Best Regards,
Pushkar Shejwalkar.
Post-doctoral -Researcher,
Tokyo Engineering University,
Tokyo-to
Japan
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