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Comments on the origin of relativistic crystal fields

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  • Tuszyński, J.A.
  • Dixon, J.M.

Abstract

A re-examination has been made of the form and the role of equivalent operators which are used to represent the effects of intersite electron-electron interactions. The approach takes into account the relativistic character of both the interaction operator and the electronic wavefunctions. The calculations are based on procedures well known in atomic physics but they are applied here in the context of molecular complexes. New terms are found, in the form of the relativistic crystal field, which originate from the Breit-Pauli operator. Sample calculations of the effective operator coefficients for some terms in the relativistic crystal field have been provided. The role of the relativistic crystal fields has been discussed and illustrated with a number of important reduced matrix elements which involve these operators.

Suggested Citation

  • Tuszyński, J.A. & Dixon, J.M., 1988. "Comments on the origin of relativistic crystal fields," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 147(3), pages 555-566.
    • Handle: RePEc:eee:phsmap:v:147:y:1988:i:3:p:555-566
    DOI: 10.1016/0378-4371(88)90170-7
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    References listed on IDEAS

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    1. Chatterjee, R. & Dixon, J.M., 1980. "“Crystal fields” for magnetic ions in metals from itinerant electrons," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 100(1), pages 100-118.
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    1. Tuszyński, J.A. & Dixon, J.M. & Chatterjee, R., 1984. "The theory of spin correlated crystal fields," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 127(1), pages 228-240.
    2. Tuszyński, J.A. & Dixon, J.M. & Chatterjee, R., 1986. "The theory of spin-correlated crystal fields: Application to Gd3+ in C3h symmetry," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 135(1), pages 213-225.

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