Coexistence of tetragonal with orthorhombic or trigonal Jahn-Teller distortions in an Oh complex. III. Effect of the totally symmetrical vibrational mode

A. Ranfagni, D. Mugnai, M. Bacci, M. Montagna, O. Pilla, and G. Viliani
Phys. Rev. B 20, 5358 – Published 15 December 1979
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Abstract

The quadratic Jahn-Teller effect of a triply degenerate T electronic term in an Oh complex interacting with α1g, εg, and τ2g modes has been investigated retaining only terms bilinear in the totally symmetrical Q1 coordinate. The resulting coexistence charts in the parameter space confirm the existence of tetragonal and trigonal distortions, while the orthorhombic points can never become minima. A complete treatment involving all of the quadratic terms has been performed numerically for KCI: TI+ and KBr: TI+, evaluating the parameters by the angular-overlap model.

  • Received 28 March 1979

DOI:https://doi.org/10.1103/PhysRevB.20.5358

©1979 American Physical Society

Authors & Affiliations

A. Ranfagni, D. Mugnai, and M. Bacci

  • Istituto di Ricerca sulle Onde Elettromagnetiche del Consiglio Nazionale delle Ricerche, Firenze, Italy

M. Montagna, O. Pilla, and G. Viliani

  • Dipartimento di Fisica, Università di Trento, Povo, Trento

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Vol. 20, Iss. 12 — 15 December 1979

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