Abstract
It was shown previously that significant nonlinear shielding of the rare-earth electrostatic crystalline-field interactions may occur, and hence that the standard parametrization scheme used to determine the crystalfield parameters, VLM=ALMrL, was questionable. These nonlinear effects arise from the same distortions of the closed shells in rare-earth ions which produce the (larger) linear shielding of the crystal field Vc. In this paper, both nonlinear and linear shielding effects have been investigated for the rare-earth ions Ce3+, and Tb3+ through Yb3+ inclusive. The method of single substituted configurations is employed and is shown to avoid the difficulties associated with the traditional single-determinant perturbation-theory approach previously used exclusively by various authors. Results based on both methods are given and compared; significant differences in linear-shielding predictions are found to be introduced by the inexact traditional approach. Calculations for the nonlinear 5p4f effects have been done, and results displayed, as a function of the strength of Vc (based on the point-charge model). The relevance of these effects to experiment is examined qualitatively.
| Original language | English |
|---|---|
| Journal | Physical Review |
| Volume | 139 |
| Issue number | 5A |
| DOIs | |
| Publication status | Published - 1965 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
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Nonlinear and linear shielding of rare-earth crystal-field interactions. / Freeman, Arthur J; Watson, R. E.
In: Physical Review, Vol. 139, No. 5A, 1965.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Nonlinear and linear shielding of rare-earth crystal-field interactions
AU - Freeman, Arthur J
AU - Watson, R. E.
PY - 1965
Y1 - 1965
N2 - It was shown previously that significant nonlinear shielding of the rare-earth electrostatic crystalline-field interactions may occur, and hence that the standard parametrization scheme used to determine the crystalfield parameters, VLM=ALMrL, was questionable. These nonlinear effects arise from the same distortions of the closed shells in rare-earth ions which produce the (larger) linear shielding of the crystal field Vc. In this paper, both nonlinear and linear shielding effects have been investigated for the rare-earth ions Ce3+, and Tb3+ through Yb3+ inclusive. The method of single substituted configurations is employed and is shown to avoid the difficulties associated with the traditional single-determinant perturbation-theory approach previously used exclusively by various authors. Results based on both methods are given and compared; significant differences in linear-shielding predictions are found to be introduced by the inexact traditional approach. Calculations for the nonlinear 5p4f effects have been done, and results displayed, as a function of the strength of Vc (based on the point-charge model). The relevance of these effects to experiment is examined qualitatively.
AB - It was shown previously that significant nonlinear shielding of the rare-earth electrostatic crystalline-field interactions may occur, and hence that the standard parametrization scheme used to determine the crystalfield parameters, VLM=ALMrL, was questionable. These nonlinear effects arise from the same distortions of the closed shells in rare-earth ions which produce the (larger) linear shielding of the crystal field Vc. In this paper, both nonlinear and linear shielding effects have been investigated for the rare-earth ions Ce3+, and Tb3+ through Yb3+ inclusive. The method of single substituted configurations is employed and is shown to avoid the difficulties associated with the traditional single-determinant perturbation-theory approach previously used exclusively by various authors. Results based on both methods are given and compared; significant differences in linear-shielding predictions are found to be introduced by the inexact traditional approach. Calculations for the nonlinear 5p4f effects have been done, and results displayed, as a function of the strength of Vc (based on the point-charge model). The relevance of these effects to experiment is examined qualitatively.
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U2 - 10.1103/PhysRev.139.A1606
DO - 10.1103/PhysRev.139.A1606
M3 - Article
VL - 139
JO - Physical Review
JF - Physical Review
SN - 0031-899X
IS - 5A
ER -