Article (Scientific journals)
Direct magnetization-polarization coupling in BaCuF4
García Castro, Andrès Camilo; Ibarra Hernández, Wilfredo; Bousquet, Eric et al.
2018In Physical Review Letters, 121, p. 117601
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Keywords :
Multiferroics; Magnetoelectrics
Abstract :
[en] Herewith, first-principles calculations based on density functional theory are used to describe the ideal magnetization reversal through polarization switching in BaCuF4 which, according to our results, could be accomplished close to room temperature. We also show that this ideal coupling is driven by a single soft mode that combines both polarization, and octahedral rotation. The later being directly coupled to the weak ferromagnetism of BaCuF4. This, added to its strong Jahn-Teller distortion and its orbital ordering, makes this material a very appealing prototype for crystals in the ABX4 family for multifunctional applications. The described mechanism behaves ideally as it couples the ferroelectric and the magnetic properties naturally and it has not been reported previously.
Research center :
PhyTheMa
Disciplines :
Physics
Author, co-author :
García Castro, Andrès Camilo ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Ibarra Hernández, Wilfredo 
Bousquet, Eric  ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Romero, Aldo ;  Université de Liège - ULiège > Département de physique > Physique des matériaux et nanostructures
Language :
English
Title :
Direct magnetization-polarization coupling in BaCuF4
Publication date :
September 2018
Journal title :
Physical Review Letters
ISSN :
0031-9007
eISSN :
1079-7114
Publisher :
American Physical Society, New York, United States - New York
Volume :
121
Pages :
117601
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
Tier-1 supercomputer
Funders :
Céci FRS-FNRS (Grant No. 2.5020.1) and Tier-1 supercomputer of the Feédération Wallonie-Bruxelles funded by the Walloon Region (Grant No. 1117545)
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