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Topology of spin Hamiltonian and crystal field tensors for Mn2+ in ZnSeO4·6H2O crystal

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Abstract

The expansion of the {B 2} and {B 4} tensors of the spin Hamiltonian (SH) for Mn2+ (6S-state) is performed in terms of the irreducible tensor products {V L 1 ⊗V L 2}2 and {V L 1 ⊗V L 2}4 of the crystal field (CF) tensors {V L 1} and {V L 2}. The EPR spectra of Mn2+ in the ZnSeO4·6H2O crystal are studied and the SH tensors {B 2} and {B 4} are calculated. The tensors {V 4⊗V 4}2 and {V 4⊗V 4}4 are computed using the point-charge model (PCM) of the [Zn(H2O)6] complex with the C2 symmetry and are compared with the SH tensors {B 2} and {B 4}, respectively. The correct signs of the elements and the pseudo-symmety axes of the tensors are obtained both for the {B 2} tensor and {V 4⊗V 4}2 and for the {B 4} tensor and {V 4⊗V 4}4. It is concluded that the irreducible tensor products {V 4⊗V 4}2 and {V 4⊗V 4}4 provide the predominant contribution respectively to the SH tensors {B 2} and {B 4} of Mn2+.

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Authors and Affiliations

  1. Kazan State University, Lenin str. 18, 420008, Kazan, Russian Federation

    V. M. Vinokurov, A. R. Al-Soufi, A. A. Galeev, N. M. Khasanova, G. R. Bulka & N. M. Nizamutdinov

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  1. V. M. Vinokurov
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  2. A. R. Al-Soufi
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  3. A. A. Galeev
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  4. N. M. Khasanova
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  5. G. R. Bulka
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  6. N. M. Nizamutdinov
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Vinokurov, V.M., Al-Soufi, A.R., Galeev, A.A. et al. Topology of spin Hamiltonian and crystal field tensors for Mn2+ in ZnSeO4·6H2O crystal. Appl. Magn. Reson. 7, 323–337 (1994). https://doi.org/10.1007/BF03162618

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