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American Physical Society, Physical review B, 22(89)

DOI: 10.1103/physrevb.89.224106

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Multiple high-temperature transitions driven by dynamical structures in NaI

Journal article published in 2014 by J. R. Jeffries, M. E. Manley, H. Lee, N. P. Butch, A. Zabalegui, D. L. Abernathy ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Multiple, consecutive high-temperature transitions in NaI involving dynamical order and/or localization in the energy-momentum spectrum but not in the average crystal structure are revealed by lattice dynamics, x-ray lattice spacing, and heat-capacity measurements. Distinctive energy-momentum patterns and lattice distortions indicate dynamical structures forming within randomly stacked planes, rather than the isolated point-defect-like intrinsic localized modes predicted. Transition entropies are accounted for by vibrational entropy changes, and the transition enthalpies are explained by the strain energy of forming stacking-fault-like planar distortions deduced from x-ray-diffraction peak shifts. The vibrational entropy of the dynamical structures stabilizes surrounding elastic distortions.