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Title: Valency of rare earths in R In-3 and R Sn-3: Ab initio analysis of electric-field gradients
Authors: Asadabadi, Saeid Jalali ×
Cottenier, Stefaan
Akbarzadeh, Hadi
Saki, R
Rots, Michel #
Issue Date: Nov-2002
Publisher: American physical soc
Series Title: Physical Review B vol:66 issue:19 pages:-
Abstract: In RIn3 and RSn3 the rare earth (R) is trivalent, except for Eu and Yb, which are divalent. This was experimentally determined in 1977 by perturbed angular correlation measurements of the electric-field gradient on a Cd-111 impurity. At that time, the data were interpreted using a point charge model, which is now known to be unphysical and unreliable. This makes the valency determination potentially questionable. We revisit these data, and analyze them using ab initio calculations of the electric-field gradient. From these calculations, the physical mechanism that is responsible for the influence of the valency on the electric-field gradient is derived. A generally applicable scheme to interpret electric-field gradients is used, which in a transparent way correlates the size of the field gradient with chemical properties of the system.
URI: 
ISSN: 1098-0121
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Nuclear and Radiation Physics Section
× corresponding author
# (joint) last author

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