Skip to main content

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) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided)

PDF - Author's Accepted Manuscript
Restricted to Repository staff only until 30 October 2020.
Contact us about this Publication
[img]
Official URL
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: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Nicholas Bristowe
Date Deposited: 23 Jul 2019 08:02 UTC
Last Modified: 09 Apr 2020 15:23 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
  • Depositors only (login required):

Downloads

Downloads per month over past year