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From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization

Pomiro, Fernando, Ablitt, Chris, Bristowe, Nicholas C., Mostofi, Arash A., Won, Choongjae, Cheong, Sang-Wook, Senn, Mark S. (2020) From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization. Physical Review B, 102 (1). ISSN 2469-9950. (doi:10.1103/PhysRevB.102.014101) (KAR id:82373)

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Hybrid improper ferroelectrics (HIFs) have been studied intensively over the past few years to gain an understanding of their temperature-induced phase transitions and ferroelectric switching pathways. Here we report a switching from a first- to a second-order phase transition pathway for HIFs Ca3−xSrxTi2O7, which is driven by the differing entropies of the phases that we identify as being associated with the dynamic motion of octahedral tilts and rotations. A greater understanding of the transition pathways in this class of layered perovskites, which host many physical properties that are coupled to specific symmetries and octahedral rotation and tilt distortions—such as superconductivity, negative thermal expansion, fast ion conductivity, ferroelectricity, among others—is a crucial step in creating novel functional materials by design.

Item Type: Article
DOI/Identification number: 10.1103/PhysRevB.102.014101
Uncontrolled keywords: Crystal structure, Ferroelectricity, First order phase, transitions, First-principles calculations, Order parameters, Second order phase transitions, Physical Systems, Ferroelectrics, Techniques, Density functional calculationsX-ray powder diffraction
Divisions: Divisions > Division of Natural Sciences > School of Physical Sciences
Depositing User: Nicholas Bristowe
Date Deposited: 05 Aug 2020 08:27 UTC
Last Modified: 16 Feb 2021 14:14 UTC
Resource URI: (The current URI for this page, for reference purposes)
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