Applications of Multiple Scattering Theory to Electron Spectroscopy

1991 ◽  
Vol 253 ◽  
Author(s):  
P J Durham

ABSTRACTBecause it gives direct and convenient access to the Green's function, multiple scattering theory (MST) provides a powerful machinery for the calculation of I particle observables in general and electron spectroscopies in particular.The two techniques in which multiple scattering methods have made the biggest impact areangle-resolved photoemission and x-ray spectroscopy (absorption and emission); here the essential point is that MST allows experimental data to be analysed and modelled on the same footing as calculations of the underlying electronic structure, for both ordered and disordered systems. Applications in these areas are briefly reviewed, drawing attention to the two outstanding current deficiencies of the methodology (the use of density functional theory to describe excited states and the approximate — muffin-tin — form of the effective 1—electron potential) as well as its successes.Current developments, particularly the treatment of relativistic and magnetic systems, the possibilities opened up by third-generation synchrotron radiation sources, and the use of parallel computing techniques, are mentioned.

1989 ◽  
Vol 44 (3) ◽  
pp. 189-194
Author(s):  
P. Kizler ◽  
P. Lamparter ◽  
S. Steeb

Xanes spectra of the amorphous Fe80B20- and Ni80B20-alloys have been investigated using the electron multiple scattering theory of Durham et al. The calculations were based on several models for the structure of amorphous Fe80B20 and Ni80B20. Very good agreement between theoretical and experimental XANES curves was met. Opposite to former expectations for obtaining information on bond angles by XANES, this study shows that XANES points to more complex features of the structure than can be expressed in terms of bond angles.


1991 ◽  
Vol 44 (10) ◽  
pp. 4832-4842 ◽  
Author(s):  
O. Šipr ◽  
J. Vackář ◽  
A. Šimůnek

2005 ◽  
Vol 44 (6A) ◽  
pp. 4073-4079 ◽  
Author(s):  
Kanae Uno ◽  
Yasuharu Notoya ◽  
Takashi Fujikawa ◽  
Hidetaka Yoshikawa ◽  
Keiko Nishikawa

1991 ◽  
Vol 253 ◽  
Author(s):  
Philippe Sainctavit ◽  
J. Petiau

ABSTRACTWe present an application of multiple scattering theory with “muffin-tin” potentials to the calculation of X-ray absorption cross section. We have measured and calculated the K-edge spectra of atoms in compounds with zincblende structure : SiC, ZnS. We show that some spectral features can be precisely related to the local environnement around the absorbing atom.


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