[Wien] How to recognize that which peak of EELS comes from which adsobant ?

[Gavin Abo]

As you can probably tell from Prof. Marks valued comment, I'm not an 
expert on EELS.  Sorry, the theoretical part of what I said before is 
not correct.  In WIEN2k, you should be able to calculate the ELNES parts 
of the EELS spectrum.  See the description of case.innes in the Telnes3 
section of the WIEN2k usersguide.  Rather than having to 'identify' the 
element (atom), it looks like you have to 'specify' what the 
inequivalent atom is and what the energy-loss of the 1st edge should 
be.  If I now understand your question correctly, you are asking about 
how to identify and understand the peaks in ELNES spectra.  I don't know 
in detail, but I think that is done using an overlap population 
diagram.  You should be able to read more about it in the document and 
references contained therein at:

http://www.congre.co.jp/amtc4/pdf/amtc03/amtc_3_068.pdf

Also, you might what to have a look at the WIEN2k ELNES documents on the 
WIEN2k website [ http://www.wien2k.at/reg_user/textbooks/ ].

On 5/20/2015 8:33 PM, Naseem Hassan wrote:
> Dear Prof. Gavin Abo and Prof. Laurence Marks
>
> Thanks for the input. As we know, EELS can be obtained from wien2k in 
> OPTICAL Property section. There should be some kind of origin for 
> Energy loss peaks. I will go though Prof Gavin Abo's provided links.
>
> Many Thanks
> Naseem Hassan
>
> On Thu, May 21, 2015 at 4:33 AM, Laurence Marks 
> <L-marks at northwestern.edu <mailto:L-marks at northwestern.edu>> wrote:
>
>     Good try Gavin, but from the sounds of it he is doing SREELS
>     (surface reflection EELS).
>
>     This is really the wrong place for this type of question, I
>     suggest the Surface Science list at
>     http://goliath.emt.inrs.ca/surfsci/listserver.html
>
>     On Wed, May 20, 2015 at 2:25 PM, Gavin Abo <gsabo at crimson.ua.edu
>     <mailto:gsabo at crimson.ua.edu>> wrote:
>
>         For experimental EELS data, I think there are software
>         programs out
>         there for that:
>
>         EELSTools [ http://www.dmscripting.com/eelstools.html ]
>         EELSModel [ http://www.eelsmodel.ua.ac.be/ ]
>
>         However, I don't know if you can import WIEN2k EELS data into
>         them, and
>         I'm not aware of any software for theoretical EELS data.
>
>         So you might have to do the edge identification by hand. 
>         There is a
>         book titled "Analytical Electron Microscopy for Materials
>         Science" by
>         Daisuke Shindo and Tetsuo Oikawa, which you should be able to
>         find on
>         the Springer website at
>
>         http://link.springer.com/book/10.1007/978-4-431-66988-3
>
>         In the Front Matter pdf, there is a "Table of Electron Binding
>         Energies
>         (eV) for Electron Energy-Loss Spectra (EELS)", and it says,
>         "This table
>         can be used to identify edges in energy-loss spectra".
>
>         On 5/20/2015 2:06 AM, Naseem Hassan wrote:
>         > Dear all.
>         >
>         > I have obtained electron energy loss spectrum for different
>         adsobants
>         > on the surface for varying concentration. How to recognize
>         that which
>         > peak of EELS comes from which adsobant ? How can one
>         determine the
>         > types of atoms, and the numbers of atoms of each type, being
>         struck by
>         > the beam ?
>         >
>         > Many Thanks
>         > Naseem Hassan
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>
>
>     -- 
>     Professor Laurence Marks
>     Department of Materials Science and Engineering
>     Northwestern University
>     www.numis.northwestern.edu <http://www.numis.northwestern.edu>
>     Corrosion in 4D: MURI4D.numis.northwestern.edu
>     <http://MURI4D.numis.northwestern.edu>
>     Co-Editor, Acta Cryst A
>     "Research is to see what everybody else has seen, and to think
>     what nobody else has thought"
>     Albert Szent-Gyorgi
>
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