Path-integral effective-potential method applied to extended x-ray-absorption fine-structure cumulants

1998 ◽  
Vol 57 (6) ◽  
pp. 3423-3432 ◽  
Author(s):  
Toshihiko Yokoyama
2021 ◽  
Vol 4 (10) ◽  
pp. 5-10
Author(s):  
Ba Duc Nguyen ◽  
Quang Tho Vu ◽  
Phi Hiep Trinh ◽  
Quynh Lam Nguyen Thi

The effects of the doping ratio and temperature on the cumulants andthermodynamic parameters of crystal structure metals and their alloys wasinvestigated using the anharmonic correlated Einstein model, in extended X-ray absorption fine structure (EXAFS) spectra. We derived analytical expressions for the EXAFS cumulants, correlated Einstein frequency, Einstein temperature, and effective spring constant. We have considered parameters of the effective Morsepotential and the Debye-Waller factor depend on temperature and the effects of the doping ratio of face-centered-cubic (fcc) crystals of copper (Cu-Cu), silver (Ag-Ag), and hexagonal-close-packed (hcp) crystal of zinc (Zn-Zn), and their alloys of Cu-Ag and Cu-Zn. The derived anharmonic effective potential includes the contributions of all the nearest neighbors of the absorbing and scattering atoms. This accounts for three-dimensional interactions and the parameters of theMorse potential, to describe single-pair atomic interactions. The numericalresults of the EXAFS cumulants, thermodynamic parameters, and anharmonic effective potential agree reasonably with experiments and other theories.


2000 ◽  
Vol 454-456 ◽  
pp. 723-728 ◽  
Author(s):  
H. Magnan ◽  
P. Le Fèvre ◽  
A. Midoir ◽  
D. Chandesris ◽  
H. Jaffrès ◽  
...  

Author(s):  
Kazumasa Murata ◽  
Junya Ohyama ◽  
Atsushi Satsuma

In the present study, the redispersion behavior of Ag particles on ZSM-5 in the presence of coke was observed using in situ X-ray absorption fine structure (XAFS) spectroscopy.


2021 ◽  
Author(s):  
Gregory M. Su ◽  
Han Wang ◽  
Brandon R. Barnett ◽  
Jeffrey R. Long ◽  
David Prendergast ◽  
...  

In situ near edge X-ray absorption fine structure spectroscopy directly probes unoccupied states associated with backbonding interactions between the open metal site in a metal–organic framework and various small molecule guests.


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