Searching for new ferroelectrics and multiferroics : a user’s point of view
Abstract
A perspective on computational studies of ferroelectrics and multiferroics is given that emphasises what has yet to be done, along with some subtleties in previously studied systems. Beginning with the extensive data-mining studies of Abrahams and more recently, Rabe, a survey is given of magnetostrictive effects in antiferromagnetic antiferroelectrics (after Toledano and Toledano), which has an nonmagnetic analogy in the antiferroelectric phase of tris-sarcosine calcium chloride and a reminder of the unusual spin–phonon coupling of Holden et al. in systems such as KCoF3 and EuTiO3. Attention is also paid to field-temperature phase diagrams, finite non-periodic boundary conditions, and processing-dependent structures.
Citation
Scott , J F 2015 , ' Searching for new ferroelectrics and multiferroics : a user’s point of view ' , Computational Materials , vol. 1 , 15006 , pp. 1-9 . https://doi.org/10.1038/npjcompumats.2015.6
Publication
Computational Materials
Status
Peer reviewed
ISSN
2057-3960Type
Journal article
Rights
© 2015 Shanghai Institute of Ceramics, Chinese Academy of Sciences/Macmillan Publishers Limited. This is an Open Access article. This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material.
Collections
Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.