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
Keyword(s):  
Fine Structure ◽  
Path Integral ◽  
Effective Potential ◽  
Potential Method ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

scholarly journals Thermodynamic parameters depend on temperature with the influence of doping ratio of the crystal structure metals in extended X-Ray absorption fine structure

2021 ◽  
Vol 4 (10) ◽  
pp. 5-10
Author(s):  
Ba Duc Nguyen ◽  
Quang Tho Vu ◽  
Phi Hiep Trinh ◽  
Quynh Lam Nguyen Thi
Keyword(s):  
Crystal Structure ◽  
Fine Structure ◽  
Thermodynamic Parameters ◽  
Effective Potential ◽  
Single Pair ◽  
Face Centered Cubic ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption ◽  
Doping Ratio

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.

Structure of magnetic thin films and nanostructures studied by extended X-ray absorption fine structure

2000 ◽  
Vol 454-456 ◽  
pp. 723-728 ◽  
Author(s):  
H. Magnan ◽  
P. Le Fèvre ◽  
A. Midoir ◽  
D. Chandesris ◽  
H. Jaffrès ◽  
...  
Keyword(s):  
Thin Films ◽  
Fine Structure ◽  
Magnetic Thin Films ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Kinetic analysis of Ag particle redispersion into ZSM-5 in the presence of coke using in situ XAFS

2021 ◽  
Author(s):  
Kazumasa Murata ◽  
Junya Ohyama ◽  
Atsushi Satsuma
Keyword(s):  
Fine Structure ◽  
Kinetic Analysis ◽  
X Ray ◽  
Xafs Spectroscopy ◽  
Absorption Fine ◽  
Ag Particles ◽  
In Situ Xafs ◽  
Ag Particle ◽  
X Ray Absorption

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.

scholarly journals Backbonding contributions to small molecule chemisorption in a metal–organic framework with open copper(i) centers

2021 ◽  
Author(s):  
Gregory M. Su ◽  
Han Wang ◽  
Brandon R. Barnett ◽  
Jeffrey R. Long ◽  
David Prendergast ◽  
...  
Keyword(s):  
Fine Structure ◽  
Small Molecule ◽  
Metal Organic Framework ◽  
X Ray ◽  
Metal Site ◽  
Absorption Fine ◽  
Metal Organic ◽  
X Ray Absorption ◽  
Organic Framework

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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