[Ifeffit] Ifeffit Digest, Vol 80, Issue 1

[Hashem Stietiya]

Thank you Dr. Segre,

So I should not be skeptical if my fitting results return a high Debye
Waller value for my first shell as compared with the second shell.

I appreciate your help.

Hashem Stietiya

On Fri, Oct 2, 2009 at 12:00 PM,
<ifeffit-request at millenia.cars.aps.anl.gov>wrote:

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> Today's Topics:
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>   1. Debye Waller for first shell and second shell (Hashem Stietiya)
>   2. Re: Debye Waller for first shell and second shell (Carlo Segre)
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> Message: 1
> Date: Fri, 2 Oct 2009 11:04:45 -0500
> From: Hashem Stietiya <mstiet2 at tigers.lsu.edu>
> Subject: [Ifeffit] Debye Waller for first shell and second shell
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
>        <c7b8f940910020904ged84c20t305a742484dd1f4b at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear All,
>
> Does the Debye Waller value for the first shell have to be smaller than
> that
> of the second shell? can you have a situation where the Debye Waller value
> for the Zn-O first shell is 0.011 and for the Zn-Fe second shell is 0.003?
> so if there is thermal or static disorder in the first coordination
> shell,that must be the case for the second coordination shell?
>
> Best Regards,
>
> Hashem Stietiya
> Louisiana State University
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> ------------------------------
>
> Message: 2
> Date: Fri, 2 Oct 2009 11:06:30 -0500 (CDT)
> From: Carlo Segre <segre at iit.edu>
> Subject: Re: [Ifeffit] Debye Waller for first shell and second shell
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <alpine.DEB.2.00.0910021105110.4330 at hydride>
> Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed
>
>
> it is quite possible for there to be significant disorder in the first
> shell.  Vacancies can cause this or a size mismatch with a dopant atom.
> In addition, oxygen is much less massive than iron and so can have much
> higher thermal vibrations.
>
> Cheers,
>
> Carlo
>
> On Fri, 2 Oct 2009, Hashem Stietiya wrote:
>
> > Dear All,
> >
> > Does the Debye Waller value for the first shell have to be smaller than
> that
> > of the second shell? can you have a situation where the Debye Waller
> value
> > for the Zn-O first shell is 0.011 and for the Zn-Fe second shell is
> 0.003?
> > so if there is thermal or static disorder in the first coordination
> > shell,that must be the case for the second coordination shell?
> >
> > Best Regards,
> >
> > Hashem Stietiya
> > Louisiana State University
> >
>
> --
> Carlo U. Segre -- Professor of Physics
> Associate Dean for Graduate Admissions, Graduate College
> Illinois Institute of Technology
> Voice: 312.567.3498            Fax: 312.567.3494
> segre at iit.edu   http://www.iit.edu/~segre   segre at debian.org
>
>
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> End of Ifeffit Digest, Vol 80, Issue 1
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>



-- 
Hashem Stietiya
PhD candidate
School of Plant, Soil and Environmental Sciences
Louisiana State University
Tel: 225-578-1361
Fax: 225-578-1403
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