Overlap and Covalency Contribution to the Zero‐Field Splitting of S‐State Ions

Physica Status Solidi (B): Basic Research - Tập 73 Số 2 - Trang 575-586 - 1976
P. Novák1, I. Veltruský1
1Inatitute of Solid State Physics, Czechoslovak Academy of Sciences, Prague

Tóm tắt

Abstract

General formulation of overlap and covalency effects for parameters D, E in the spin‐Hamiltonian of S‐state ions using the independent bond approach is developed. The model may be applied to complexes with both arbitrary coordination number and positions of ligands. All local, nonlocal, and distant terms of spin‐spin and spin‐orbit interactions are computed and used both for comparison with previous works on the Mn2+ ion with fluorine ligands and for discussion of the origin of the parameter D of octahedral Mn2+ and Fe2+ ions in garnets. Some of the errors and improper approximations appearing in various papers are discussed.

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Tài liệu tham khảo

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Thông tin xuất bản

Physica Status Solidi (B): Basic Research

Tập 73 Số 2

575-586

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