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Today's Topics:

  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@tigers.lsu.edu>
Subject: [Ifeffit] Debye Waller for first shell and second shell
To: ifeffit@millenia.cars.aps.anl.gov
Message-ID:
       <c7b8f940910020904ged84c20t305a742484dd1f4b@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@iit.edu>
Subject: Re: [Ifeffit] Debye Waller for first shell and second shell
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Message-ID: <alpine.DEB.2.00.0910021105110.4330@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@iit.edu   http://www.iit.edu/~segre   segre@debian.org


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End of Ifeffit Digest, Vol 80, Issue 1
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