Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings

Xu, Changsong; Li, Yang; Xu, Bin; Íñiguez, Jorge; Duan, Wenhui; Bellaiche, Laurent

doi:10.1002/adfm.201604513

Title: Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings

Journal Article · Fri Dec 09 00:00:00 EST 2016 · Advanced Functional Materials

DOI:https://doi.org/10.1002/adfm.201604513· OSTI ID:1532851

Xu, Changsong ^[1]; Li, Yang ^[1]; Xu, Bin ^[2]; Íñiguez, Jorge ^[3]; Duan, Wenhui ^[1]; Bellaiche, Laurent ^[2]

Tsinghua Univ., Beijing (China)
Univ. of Arkansas, Fayetteville, AR (United States)
Luxembourg Inst. of Science and Technology (Luxembourg)

Multiferroic materials are currently attracting a lot of interest because of the cross-coupling between their electrical and magnetic properties, which has the potential to lead to novel devices. There is a relatively small number of multiferroics and, hence, various strategies have been proposed to design materials possessing both ordered electric and magnetic dipoles. However, one strategy that has been scarcely investigated so far is the application of hydrostatic pressure because such external factor has the tendency to suppress, rather than enhance or create, electrical polarization. Here, first-principles calculations are used to demonstrate that hydrostatic pressure can, in fact, stabilize a novel polar and magnetic - and thus multiferroic - phase; the occurrence of such a phase seems very general, as it is found in many presently investigated RMnO₃ compounds, where R is a rare-earth ion. The predicted structure features original pseudo Jahn-Teller effects that induce a spontaneous electrical polarization via a previously unknown structural coupling of a rather convenient form. This discovery opens a new route to create multiferroics and tunable electronic devices.

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Research Organization:: Univ. of Arkansas, Fayetteville, AR (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0002220; ER-46612

OSTI ID:: 1532851

Alternate ID(s):: OSTI ID: 1401033

Journal Information:: Advanced Functional Materials, Vol. 27, Issue 3; ISSN 1616-301X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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