Jahn-Teller Effect in the T1g4(I) State of Mn++ in RbMnF3. II

Edward I. Solomon and Donald S. McClure
Phys. Rev. B 6, 1697 – Published 1 September 1972
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Abstract

A quantitative treatment of the experimental results of the preceding paper is presented. Taking account of spin reorientation under stress, the Ham reduction factor could be calculated in three different ways. These lead to a value EJT760 cm1. Using approximate force constants for the Mn-F relative displacement and the [100]-stress response, a value of EJT730 cm1 was obtained. From the isotropic-stress response a value for the symmetric displacement was found, and when this is added to the Eg displacement, the equilibrium bond lengths in the excited state are obtained. By making a Fourier analysis of the displacement in terms of the vibrational modes of the crystal, Franck-Condon factors were found and the spectrum of the phonon sidebands was calculated. This agreed well with the observed spectrum. The phonon sideband is further used to confirm the absence of a T2g-type distortion.

  • Received 3 March 1972

DOI:https://doi.org/10.1103/PhysRevB.6.1697

©1972 American Physical Society

Authors & Affiliations

Edward I. Solomon and Donald S. McClure

  • Department of Chemistry, Princeton University, Princeton, New Jersey 08540

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Vol. 6, Iss. 5 — 1 September 1972

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