Structural Phase Transitions in Perovskite-Type Crystals

H. Thomas and K. A. Müller
Phys. Rev. Lett. 21, 1256 – Published 21 October 1968
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Abstract

We introduce a simple model Hamiltonian for the study of phase transitions in perovskite compounds ABO3 involving rotations of BO6 octahedra. Depending on the relative magnitude of the anharmonic coefficients, we find a transition to the tetragonal or to the trigonal phase. We obtain the temperature dependence of the rotation angle below the transition temperature Ta, and of the soft-mode frequencies associated with the transition both above and below Ta. The coupling to an elastic deformation field is briefly discussed.

  • Received 8 August 1968

DOI:https://doi.org/10.1103/PhysRevLett.21.1256

©1968 American Physical Society

Authors & Affiliations

H. Thomas and K. A. Müller

  • IBM Zurich Research Laboratory, 8803 Rüchlikon, Switzerland

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Issue

Vol. 21, Iss. 17 — 21 October 1968

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