Abstract

By using the complete diagonalization method (CDM), the zero field splitting (ZFS) and g factors of the ground state ( A 2 4 ) and the first excited state ( E 2 ) for Mn 4+ ion in Al 2O 3 crystal are theoretically explained systematically. In our investigations, the spin–spin (SS), spin–other-orbit (SOO) and orbit–orbit (OO) interactions, which were omitted in most of the previous works, are taken into account. The calculated results show good agreement with the observed values. Also the contributions to the g factors of E 2 state from SS, SOO and OO interactions are discussed.

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