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Superposition model for zero-field splitting of Fe3+ and Mn2+ ions in garnets

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Czechoslovak Journal of Physics B Aims and scope

Conclusions

In view of the results obtained the future of the SM for ZFS seems rather dim. Clearly, no universally valid ¯b2(R) dependence can be constructed. SM is capable to predict the signs and order of magnitudes of ZFS for a and d site S-state ions but here also a large quantitative differences may occur.

On the other hand, we think that the long standing problem of the second order ZFS is now ripe for the solution. The superposability of the covalency and overlap contribution, as well as basically linear dependence of the second order ZFS on the crystal field, are important landmarks in this development. The weakest point seems to be the conception of the crystal field potential arising from the induced multipoles. It is comprehensible that purely electrostatic model can hardly describe the systems with an appreciable covalency, thus a more complete knowledge of the electronic structure is needed. The corresponding ab initio calculation, however demanding, is fully within the reach of the modern methods. Particularly fitted for this purpose seems to be the LCAO-X method, developed by Mintmire and Dunlap [50] in which the one electron potential is directly expanded into the crystal field-like terms.

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Author notes

  1. L. Vosika

    Present address: Faculty of Mathematics and Physics, Charles University, Prague

Authors and Affiliations

  1. Institute of Physics, Czechosl. Acad. Sci., Na Slovance 2, 180 40, Praha 8, Czechoslovakia

    P. Novák & L. Vosika

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  1. P. Novák
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  2. L. Vosika
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Additional information

The authors wish to thank Dr. B. V. Mill of Moscow State University (USSR) for supplying the single crystals used in the measurements.

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Novák, P., Vosika, L. Superposition model for zero-field splitting of Fe3+ and Mn2+ ions in garnets. Czech J Phys 33, 1134–1147 (1983). https://doi.org/10.1007/BF01591256

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  • DOI: https://doi.org/10.1007/BF01591256

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