Research Papers in Physics and Astronomy


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Published in Phys. Rev. B 46, 8582 - 8585 (1992). Copyright © 1992 The American Physical Society. Used by permission.


It is shown that the potential-energy surface in K2ZnCl4 contains a double-well structure, very similar to some of the other A2BX4 compounds (e.g., K2SeO4, Rb2ZnCl4), except that the double well is much deeper and broader, giving rise to a highly disordered high-temperature phase as observed experimentally. A lattice-dynamics study of the Pna21 structure shows an instability with the wave vector q=0.5b*+(0.5±δ)c*, providing an explanation to the incommensurate phase transition reported recently.

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