[Ifeffit] d-band vacancies vs d-band center

Qingying Jia qjia at hawk.iit.edu
Thu Oct 6 12:57:39 CDT 2011

Hi All:

  I am wondering whether there is a specific correlation between d-band
vacancies vs d-band center of Pt. We can acquire experimental d-band
vacancies of Pt by XAFS from Pt LIII & LII XANES. I assume the downshift of
d-band relative to Fermi level (lower d-band center) caused by for example
alloying with the second metal will reduce the d-band vacancies since the
part above Fermi level gets reduced. But it seems like it is not always
true. I appreciate if someone can explain the correlation between these two
or give relevant references.

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