Crystal field influence on the {sup 8}S{sub 7/2} ground state splitting of Bk{sup 4+} in CeF{sub 4}.
The one-particle models of crystal-field theory provide a qualitative interpretation for the observed ground state splitting of four Kramers doublets of the {sup 8}S{sub 7/2} of Bk{sup 4+} doped into CeF{sub 4}. A set of nine nonzero (B{sup k}{sub q}) parameters corresponding a C{sub 2v} point symmetry provide a very good correlation between the experimental data and simulated energy level schemes within a rms deviation of 13.7 cm{sup -1}. The calculated and experimental energy values have the same order-of-magnitude for the ground state and excited components. The total ground state splitting of the S-state ions of f-elements such as Bk{sup 4+} in CeF{sub 4} is larger when compared with Cm{sup 3+} :LaCl{sub 3} and Gd{sup 3+} :La(C{sub 2}H{sub 5}SO{sub 4}){sub 3}-9H{sub 2}O ions. The so-called crystal-field strength parameter, N{sub v}, increases as a function of the increasing maximum splitting of the ground state due to a decrease in the participation of the pure {sup 8}S{sub 7/2} in the final composition of the ground state eigenvector.
- Research Organization:
- Argonne National Laboratory (ANL)
- Sponsoring Organization:
- SC; FOR
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 942830
- Report Number(s):
- ANL/CHM/JA-35021
- Journal Information:
- J. Chem. Phys., Journal Name: J. Chem. Phys. Journal Issue: 9 ; Mar. 1, 2000 Vol. 112; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- ENGLISH
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