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On the beauty of the f xyz orbital in T,T d,D2d and D2 symmetries
Authors:CHRISTIANE GÖRLLER-WALRAND
Institution:K. U. Leuven, Department of Chemistry , Celestijnenlaan 200F, B-3001, Leuven, Belgium
Abstract:This paper focuses on the properties of the tesseral harmonic S3 2 which describes the fxyz orbital. In a few symmetry groups: T, Td, D2d and D2 fxyz is a basis for the total symmetric representation Γ1 as well as R which denotes a function going into itself under all proper and improper rotations. The fxyz, tesseral harmonic is also the only function transforming into itself under a cyclic permutation × → y → z → x. This very unique property is discussed in the framework of the Judd-Ofelt theory. It is shown that the absorption or fluorescence intensity of the J = 2 ? J = 0 transitions in Eu3+ are concentrated in one, two or three lines with ratios 3; 2:1; 1:1:1 respectively for T, Td; D2d and D2 because the only tesseral harmonic acting in the induced electric-dipole mechanism is S3 2 (without J mixing of course). Two notes are added with respect to the fxyz, properties in applications as lasers and high-temperature superconductors (HTS).
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