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Site preference of vanadium doped into ZrSiO4 and ZrGeO4 and of terbium doped into ZrGeO4

✍ Scribed by Chandley, Peter; Clark, Robin J. H.; Angel, Ross J.; Price, G. David

Book ID
120272934
Publisher
The Royal Society of Chemistry
Year
1992
Tongue
English
Weight
838 KB
Volume
9
Category
Article
ISSN
1472-7773

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A theoretical study on lattice stability and local geometry distortions produced by the presence of V 4 Γ· and Tb z' ions in a ZrGeO 4 lattice has been carried out by means of the ab initio perturbed ion method. Slater type orbitals for representing atomic centers and large clusters ranging from 122