@article{1bac01a92e5749e6a72f04d2372b76f6,
title = "From first- To second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization",
abstract = "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. ",
author = "Fernando Pomiro and Chris Ablitt and Bristowe, {Nicholas C.} and Mostofi, {Arash A.} and Choongjae Won and Cheong, {Sang Wook} and Senn, {Mark S.}",
note = "Funding Information: This work was supported by EPSRC Grant No. EP/S027106/1. The synchrotron beam time used in this paper was at I11 through the Diamond Light Source Block Allocation Group award “Oxford/Warwick Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE18786). The work at Rutgers University was supported by the DOE under Grant No. DE-FG02-07ER46382, and the work at Postech was supported by the National Research Foundation of Korea (NRF), funded by the Ministry of Science and ICT (No. 2016K1A4A4A01922028). We are grateful to the UK Materials and Molecular Modelling Hub for computational resources, which is partially funded by EPSRC (EP/P020194/1). F.P. would like to acknowledge the IAS at University of Warwick and the Marie Sk{\l}odowska-Curie Actions for the WIRL-COFUND fellowship. C.A. was supported through a studentship in the Centre for Doctoral Training on Theory and Simulation of Materials at Imperial College London funded by the EPSRC (EP/L015579/1). A.A.M. acknowledges the support of the Thomas Young Centre through Grant No. TYC-101. M.S.S. acknowledges the Royal Society for a University Research Fellowship (UF160265). The authors would like to thank Jeremiah Tidey for the careful proofreading of the manuscript. Publisher Copyright: {\textcopyright} 2020 authors. Published by the American Physical Society. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.",
year = "2020",
month = jul,
day = "1",
doi = "https://doi.org/10.1103/PhysRevB.102.014101",
language = "English (US)",
volume = "102",
journal = "Physical Review B",
issn = "0163-1829",
publisher = "American Institute of Physics",
number = "1",
}