Magneto-electric multiferroics: designing new materials from first-principles calculations
Author(s)
Varignon, Julien
Bristowe, Nicholas C
Bousquet, Eric
Ghosez, Philippe
Type
Journal Article
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.
Date Issued
2020-02-25
Date Acceptance
2019-10-01
Citation
Physical Sciences Reviews, 2020, 5 (2), pp.1-24
ISSN
2365-659X
Publisher
Walter de Gruyter GmbH
Start Page
1
End Page
24
Journal / Book Title
Physical Sciences Reviews
Volume
5
Issue
2
Copyright Statement
©2020 Walter de Gruyter GmbH, Berlin/Boston.
Identifier
https://www.degruyter.com/view/j/psr.2020.5.issue-2/psr-2019-0069/psr-2019-0069.xml
Publication Status
Published
Date Publish Online
2019-10-31