A one-term Gaussian representation of the x-ray scattering factor of core electrons

Author(s):  
C. J . DE RANTER ◽  
M. VAN DIJCK
Author(s):  
C. J. De Ranter ◽  
M. Van Dijck

AbstractIn an attempt to treat independently the contribution of the inner and outer electrons of the different atoms to the total x-ray scattering the selected-electron shell (SES) method was developped, representing the atomic scattering factor by a three- or four-term Gaussian polynomial and associating the Gaussian constants with the electron shells of the atom.For most atoms however and contrary to the hypothesis no simple relation can be made.Therefore, the atom is considered as a non-rigid body, built up from two distinguishable terms: the core and the outer electrons. The core is assumed to form a closed, spherically symmetric shell, making an overall description of its scattering power by a one-term Gaussian function, within some limits in reciprocal space, quite possible. The


1980 ◽  
Vol 35 (4) ◽  
pp. 373-377 ◽  
Author(s):  
E. G. Visser ◽  
W. Geertsma ◽  
W. van der Lugt ◽  
J. Th. M. de Hosson

Abstract By considering three successive approximations to the conduction-electron wavefunction of metallic lithium, it is shown that the X-ray scattering factor at small wavevectors is very sensitive to the model chosen for describing the electron density. It is demonstrated that, when screened pseudopotentials are used, the "solid state effect" is almost negligible in this region of wave-vectors.


1969 ◽  
Vol 185 (3) ◽  
pp. 1230-1230 ◽  
Author(s):  
R. M. Middleton ◽  
C. P. Gazzara

1975 ◽  
Vol 53 (1) ◽  
pp. 93-96 ◽  
Author(s):  
Robert Benesch ◽  
K. M. S. Saxena

Coherent X-ray scattering factors have been computed from numerical Hartree–Fock wave functions for the neutral lanthanides and for their single-, double-, and triple-positive ions having the most commonly occurring 6sm4fn ground state configurations. For small scattering angles, the scattering factors for the ions vary among the various configurations. At large scattering angles all configurations for a given ion yield similar values for the scattering factor.


1990 ◽  
Vol 143 (9) ◽  
pp. 462-466 ◽  
Author(s):  
J.H. Barkyoumb ◽  
T.I. Morrison ◽  
D.Y. Smith

1996 ◽  
Vol 437 ◽  
Author(s):  
V. Gosula ◽  
Haydn Chen ◽  
S. Teslic ◽  
T. Egami ◽  
S. Vakhrushev

AbstractHalf integer superlattice reflections characteristic of ordered structure in PMN (Pb(Mg1,3Nb2,3)O3) single crystal have been measured using resonant synchrotron x-ray scattering near the Pb LIII absorption edge. These superlattice peaks have been previously reported in PMN by electron diffraction, and were interpreted in the context of a two phase Nb/Mg ordering model to explain its relaxor ferroelectric behavior. Nevertheless, the microscopic origin of the superlattice peaks is controversial. Previous results have shown that the Nb atom contributes heavily to the superlattice peaks. However, the effective scattering factor for these peaks is significantly smaller than in the case of complete ordering. In addition, there is strong evidence that lead participates in the ordering.


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