[Ifeffit] Debye Waller for first shell and second shell

Carlo Segre segre at iit.edu
Fri Oct 2 11:06:30 CDT 2009

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.



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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