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Multiple high-temperature transitions driven by dynamical structures in NaI...

by Michael E Manley, Jason R Jeffries, Hohyun Lee, Aitor Zabalegui, Douglas L Abernathy
Publication Type
Journal
Journal Name
Physical Review B
Publication Date
Page Number
224106
Volume
89
Issue
22

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.