[Ifeffit] Metal-Metal Peak Splitting in 5d Transition Metals

[Robert Gordon]

Ramsauer-Townsend effect
Bruce gives some references at the end of this talk:
https://speakerdeck.com/bruceravel/the-ramsauer-townsend-effect-in-x-ray-absorption-spectroscopy

-R.

On 9/19/2017 2:06 AM, Shoaib Muhammad wrote:
>
> Dear All,
>
> I have a question that is not directly related to Athena or Artemis 
> but it is more related with EXAFS theory. I work on lithium metal 
> oxides and sometimes measure their XAS data. XAS data show typical 
> trend, i.e; first prominent peak related with metal-oxygen 
> co-ordination shell and second prominent peak is associated with 
> metal-metal co-ordination shell in my materials. I have noticed that 
> in similar crystal structures Li2MO3-type (where M is transition 
> metal), if metal belongs to 3d transition metal groups I get a single 
> prominent metal-metal peak but for 5d transition metals, the 
> metal-metal peak splits and its intensity also drops. I could not 
> figure out the reason for the splitting of metal-metal peak in case of 
> 5d metals. I have attached a PDF file in which calculated EXAFS 
> spectra for Li2RuO3 (4d transition metal) and Li2PtO3 (5d transition 
> metal) are shown and metal-metal (Pt-Pt) peak in Li2PtO3 shows clear 
> splitting whereas metal-metal peak for Li2RuO3 does not split even 
> though their “ATOMS” input files are very similar.
>
> I would appreciate if anybody could briefly explain the reason for 
> metal-metal peak splitting in 5d metals or point me towards any 
> literature. Attachment can be downloaded from the below link as well.
>
> https://www.dropbox.com/s/1m3kf764junuukk/Metal-Metal%20Peak%20Splitting%20in%205d.pdf?dl=0 
>
>
> Thanks,
>
> *Shoaib Muhammad*
>
> Department of Energy Science
>
> Sungkyunkwan University (South Korea)
>
>
>
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