Orbit-lattice interaction and Jahn-Teller effect in the ${}^{4}E$ levels of ${Mn}^{2 +}$ in nearly tetrahedral clusters

15 October 1979

journal article
research article
Published by American Physical Society (APS) in Physical Review B

Vol. 20 (8) , 3333-3344
https://doi.org/10.1103/physrevb.20.3333

Abstract

The structure of the

{}^{4}E

levels of

{Mn}^{2 +}

in stressed ZnS and ZnSe crystals and in several organic compounds with distorted tetrahedral symmetry is investigated. First, the slight departure from tetrahedral symmetry of

Mn X_{4}

(

X = S, S e, C l, B r

) molecular clusters is analyzed in terms of the normal coordinates

Q (E)

and

Q (T_{2})

of a regular tetrahedron. Second, the influence of a linear coupling to

E

and

T_{2}

strains and of a quadratic coupling to

E

strains is considered. Then, it is shown that for all clusters, the structure of the

{}^{4}E

levels can most likely be interpreted in terms of an equivalent operator linear in

Q (E)

and acting directly on the

{}^{4}E

states. The values for the coupling parameters in the considered

Mn X_{4}

clusters are given and the origin of the equivalent operator is discussed. Finally, a study of the influence of the Jahn-Teller effect on the fine structure of the

{}^{4}E

levels is made for all compounds. It is shown that the strength of the Jahn-Teller coupling to

E

vibrational modes is insufficient to drastically quench the influence of the

T_{2}

strains on the observed vibronic

{}^{4}E

states, the reduction parameters associated to these strains being greater than 0.35 for Mn

S_{4}

clusters and greater than 0.5 for the other clusters. This indicates that the electronic

{}^{4}E

states are predominantly coupled to

E

strains, the electronic coupling to the

T_{2}

strains being small or negligible.

Keywords

This publication has 18 references indexed in Scilit:

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Orbit-lattice interaction and Jahn-Teller effect in theE4levels ofMn2+in nearly tetrahedral clusters

Abstract

Keywords

Orbit-lattice interaction and Jahn-Teller effect in the ${}^{4}E$ levels of ${Mn}^{2 +}$ in nearly tetrahedral clusters