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Magneto-electric multiferroics: designing new materials from first-principles calculations

Varignon, Julien, Nicholas, C., Bristowe, Nicholas C., Ghosez, Philippe (2020) Magneto-electric multiferroics: designing new materials from first-principles calculations. Physical Sciences Reviews, 5 (2). E-ISSN 2365-659X. (doi:10.1515/psr-2019-0069) (KAR id:75500)

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https://doi.org/10.1515/psr-2019-0069

Abstract

In parallel with the revival of interest for magneto-electric multiferroic materials in the beginning of the century, first-principles simulations have grown incredibly in efficiency during the last two decades. Density functional theory calculations, in particular, have so become a must-have tool for physicists and chemists in the multiferroic community. While these calculations were originally used to support and explain experimental behaviour, their interest has progressively moved to the design of novel magneto-electric multiferroic materials. In this article, we mainly focus on oxide perovskites, an important class of multifunctional material, and review some significant advances to which contributed first-principles calculations. We also briefly introduce the various theoretical developments that were at the core of all these advances.

Item Type: Article
DOI/Identification number: 10.1515/psr-2019-0069
Uncontrolled keywords: Density Functional Theory; multiferroism; magnetism; ferroelectricity; perovskites; magneto-electricity
Subjects: Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > School of Physical Sciences
Depositing User: Nicholas Bristowe
Date Deposited: 23 Jul 2019 08:02 UTC
Last Modified: 16 Feb 2021 14:06 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/75500 (The current URI for this page, for reference purposes)
Bristowe, Nicholas C.: https://orcid.org/0000-0003-1286-8440
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