Electronic Structure and ESR of Ti 2+  in Fluorite Type Crystals | Zendy

Yunusov N. B. | Zendy; Zentsov V. P. | Zendy

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Electronic Structure and ESR of Ti 2+ in Fluorite Type Crystals

Author(s) -

Yunusov N. B.,

Zentsov V. P.

Publication year - 1978

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.2220880109

Subject(s) - fluorite , ion , lattice (music) , electron , hamiltonian (control theory) , electronic structure , crystallography , condensed matter physics , chemistry , metal , atomic physics , materials science , physics , mathematics , quantum mechanics , mathematical optimization , organic chemistry , acoustics

Expressions are given for the spin‐Hamiltonian parameters for an arbitrary transition metal ion in a cubic lattice, according to the multi‐electron ligand field theory, taking into account all possible single‐electron contributions. These expressions together with the results of the electronic structure calculation of the [TiF 8 ] 6− complex are used for the calculation of the magnetic parameters of the 47 Ti 2+ ion in fluorite type crystals MF 2 (M = Cd, Ca, Sr, Ba). The calculated values are in satisfactory agreement with the experimental data.

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