Accession Number : ADA117494

Title :   Charge Penetration Effects in Rare-Earth 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 rare-earth 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 three-parameter 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