Phase Transition Mechanism in KIO3 Single Crystals

Detailed polarized Raman study was performed on KIO3 single crystals over 78.5-553K, which show a strong central component in the high temperature phase I and two soft modes S1 and S2 related to the phase transitions I-II and II-III respectively. The phonon dispersion of KIO3 in phase I was calculat...

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Bibliographic Details
Main Authors: Liu, L, Wu, R Q, Ni, Z H, Shen, Z X, Feng, Y P
Format: Conference Proceeding
Language:English
Subjects:
Density
Ferroelectric materials
Ferroelectricity
High temperature
Perturbation theory
Phase transitions
Physics
Single crystals
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Summary:Detailed polarized Raman study was performed on KIO3 single crystals over 78.5-553K, which show a strong central component in the high temperature phase I and two soft modes S1 and S2 related to the phase transitions I-II and II-III respectively. The phonon dispersion of KIO3 in phase I was calculated, utilizing density functional perturbation theory (DFPT) and local density approximation (LDA). The KIO3 single crystals were ascribed to improper ferroelectrics with the phase transition series from rhombohedral phase I, to monoclinic phase II, to triclinic phase III, and phase IV.
ISSN:1742-6596
1742-6588
1742-6596
DOI:10.1088/1742-6596/28/1/022