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

Abstract

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.

Authors:
 [1];  [1];  [2];  [3];  [1];  [2]
  1. Tsinghua Univ., Beijing (China)
  2. Univ. of Arkansas, Fayetteville, AR (United States)
  3. Luxembourg Inst. of Science and Technology (Luxembourg)
Publication Date:
Research Org.:
Univ. of Arkansas, Fayetteville, AR (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1532851
Alternate Identifier(s):
OSTI ID: 1401033
Grant/Contract Number:  
SC0002220; ER-46612
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Volume: 27; Journal Issue: 3; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; chemistry; science & technology; materials science; physics; improper ferroelectricity; multiferroics; phonon couplings; pressure effects; pseudo Jahn–Teller effects

Citation Formats

Xu, Changsong, Li, Yang, Xu, Bin, Íñiguez, Jorge, Duan, Wenhui, and Bellaiche, Laurent. Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings. United States: N. p., 2016. Web. doi:10.1002/adfm.201604513.
Xu, Changsong, Li, Yang, Xu, Bin, Íñiguez, Jorge, Duan, Wenhui, & Bellaiche, Laurent. Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings. United States. https://doi.org/10.1002/adfm.201604513
Xu, Changsong, Li, Yang, Xu, Bin, Íñiguez, Jorge, Duan, Wenhui, and Bellaiche, Laurent. Fri . "Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings". United States. https://doi.org/10.1002/adfm.201604513. https://www.osti.gov/servlets/purl/1532851.
@article{osti_1532851,
title = {Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings},
author = {Xu, Changsong and Li, Yang and Xu, Bin and Íñiguez, Jorge and Duan, Wenhui and Bellaiche, Laurent},
abstractNote = {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.},
doi = {10.1002/adfm.201604513},
journal = {Advanced Functional Materials},
number = 3,
volume = 27,
place = {United States},
year = {Fri Dec 09 00:00:00 EST 2016},
month = {Fri Dec 09 00:00:00 EST 2016}
}

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Works referencing / citing this record:

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