Features of Valence Electron Density Distribution in Zr–H and Zr–He

2015 ◽  
Vol 1084 ◽  
pp. 241-245 ◽  
Author(s):  
Oksana V. Lopatina ◽  
Leonid A. Svyatkin ◽  
Yury M. Koroteev ◽  
Ivan P. Chernov
Keyword(s):  
Density Distribution ◽  
Charge Density ◽  
Ab Initio ◽  
Electron Density ◽  
Coordination Sphere ◽  
Electronic Structures ◽  
Electron Density Distribution ◽  
Valence Electron ◽  
Valence Electron Density ◽  
Host Metal

Ab initio calculations of electronic structures of Zr–H and Zr–He systems have been done. The influence of hydrogen or helium impurities on the electron density distribution of the host metal has been considered. Extremely inhomogeneous redistribution of the metal valence charge density within the first coordination sphere of the impurity was found. The character of the observed anisotropy depends on the impurity type.

Compton scattering studies of the valence electron density distribution in GaAs

1990 ◽  
Vol 2 (51) ◽  
pp. 10517-10528 ◽  
Author(s):  
D N Timms ◽  
M J Cooper ◽  
R S Holt ◽  
F Itoh ◽  
T Kobaysai ◽  
...  
Keyword(s):  
Density Distribution ◽  
Compton Scattering ◽  
Electron Density ◽  
Electron Density Distribution ◽  
Valence Electron ◽  
Valence Electron Density
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