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Electric-field-induced paths in multiferroic BiFeO3 from atomistic simulations
S Lisenkov1, D Rahmedov, L Bellaiche
1Department of Physics, University of South Florida, Tampa, Florida 33620, USA. slisenk@cas.usf.edu
Physical Review Letters
|August 8, 2009
Summary
Simulations reveal complex behaviors of multiferroic BiFeO3 under electric fields. The material exhibits unusual transitions and phenomena, including polarization rotations and changes in oxygen octahedra tilting, impacting its magnetic properties.
Area of Science:
- Solid State Physics
- Materials Science
- Computational Materials Science
Background:
- Bismuth ferrite (BiFeO3) is a prominent multiferroic material with potential applications in electronic devices.
- Understanding its response to external stimuli like electric fields is crucial for device design.
- Complex phase behaviors and coupling between ferroelectric and magnetic properties are key characteristics.
Purpose of the Study:
- To investigate the intricate properties of BiFeO3 under varying electric field conditions.
- To explore the complex paths and anomalous phenomena arising from electric field application.
- To elucidate the relationship between electric fields, structural transitions, and magnetic ordering in BiFeO3.
Main Methods:
- An ab initio-based computational approach was employed for simulations.
- The study focused on simulating the behavior of BiFeO3 under applied electric fields.
- Analysis involved tracking polarization, oxygen octahedra tilting, and magnetic order parameters.
Main Results:
- Complex dynamic paths and anomalous phenomena were observed, dependent on electric field direction.
- Key phenomena include polarization rotations, oxygen octahedra axis rotations, isostructural transitions, and reentrant crystallographic behaviors.
- The magnetic order parameter's orientation relative to polarization and oxygen octahedra tilting axis was analyzed, revealing a governing orthogonality rule.
Conclusions:
- Electric field application induces diverse and complex behaviors in BiFeO3.
- The interplay between structural distortions (oxygen octahedra tilting) and ferroelectric polarization is highly sensitive to electric fields.
- A fundamental relationship exists between magnetic ordering and structural symmetry, specifically the orthogonality to the oxygen octahedra tilting axis.
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