
Accession Number : ADA117494
Title : Charge Penetration Effects in RareEarth Crystal Fields.
Descriptive Note : Technical rept.,
Corporate Author : HARRY DIAMOND LABS ADELPHI MD
Personal Author(s) : Morrison,Clyde A
PDF Url : ADA117494
Report Date : Jun 1982
Pagination or Media Count : 31
Abstract : The theory of charge penetration by a rareearth ion into the charge distribution on a ligand has been developed. The results are cast into a form reminiscent of the Sternheimer shielding factors, sigma n, which relate the observed A prime nm r to the nth power to the lattice sum A nm r to the nth power in the form A prime nm r to the nth power = A prime nm r to the nth power (1  sigma n). The corresponding form developed here is A prime nm r to the nth power = A prime nm r to the nth power (1  delta n(x,y)/ r to the nth power ) with explicit expressions given for the delta n(x,y). The delta n(x,y) is then expanded for small x, and a form convenient for calculation is given. The results obtained here can be used with the threeparameter theory of crystal fields to obtain crystal field parameters Bnm (tau;q eta gamma), which give a better representation of the phenomenological Bnm than we obtained previously. (Author)
Descriptors : *CRYSTAL LATTICES, *RARE EARTH COMPOUNDS, *IONS, PENETRATION, LIGANDS, CHARGE CARRIERS, SHIELDING, COMPUTATIONS
Subject Categories : Inorganic Chemistry
Crystallography
Distribution Statement : APPROVED FOR PUBLIC RELEASE