New multiferroic BiFeO<sub>3</sub> with large polarization

Zhang, Runqing; Hu, Peiju; Bai, Lingling; Xie, Xing; Dong, Huafeng; Wen, Minru; Mu, Zhongfei; Zhang, Xin; Wu, Fugen

doi:10.1039/d1cp05452j

Cited by 8 publications

(2 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The I 4/ mcm phase is a newly found nonpolar phase at ambient pressure, with lower energy compared to the previously reported Pnma phase. Second, both P 6 3 and P 6 3 22 form a special coplanar double Fe–O octahedron configuration, accompanied by large spontaneous polarization values . The Fd 3̅ m phase has the highest structural symmetry in bulk BiFeO 3 .…”

Section: Resultsmentioning

confidence: 99%

“…Second, both P6 3 and P6 3 22 form a special coplanar double Fe−O octahedron configuration, accompanied by large spontaneous polarization values. 50 The Fd3̅ m phase has the highest structural symmetry in bulk BiFeO 3 . It has elastic properties superior to other isomers, with the hardest Vickers hardness Hv (∼9.12 GPa) among common multiferroic materials.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO₃

Zhang,

Dong,

Wen

et al. 2023

Inorg. Chem.

Self Cite

View full text Add to dashboard Cite

BiFeO 3 is the most widely known multiferroic at room temperature, possessing both ferroelectricity and antiferromagnetism. It has high Curie temperature and Neél temperature, i.e., 1103 and 643 K, respectively. Despite these unique properties, the pressure-induced phase diagram of bulk BiFeO 3 has remained controversial. Based on the ab initio evolutionary algorithm, we systematically searched for the potential stable structures of bulk BiFeO 3 at 0−50 GPa. It is identified that there are five pressure-induced phase transition sequences R3c−G−AFM → (5GPa) C2/m−G−AFM → (15GPa) Pnma−G−AFM → (24GPa) Pnma− FM → (35GPa) Imma−FM → (45GPa) Cmcm−FM, which provided a comprehensive pressure-induced phase diagram.As the pressure increases, we discovered an interesting phenomenon: a pressure-induced magnetic sequence transition, i.e., BiFeO 3 transitions from an antiferromagnetic to a ferromagnetic sequence. Concurrently, the electronic structure evolves during the insulator−metal transition, influenced not only by the pressure but also by the phase transition. Our research has elucidated the long-standing question of the phase transition sequence of the BiFeO 3 system under pressure and provided theoretical support for the insulator− metal transition.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO₃

Zhang,

Dong,

Wen

et al. 2023

Inorg. Chem.

Self Cite

View full text Add to dashboard Cite

show abstract

Enhanced electrostatic energy storage achieved in BiFeO3-driven (Sr,Bi)TiO3 ceramics for high-voltage pulsed applications

Sun

Wang

et al. 2023

Ceramics International

View full text Add to dashboard Cite

Dielectric and magnetic properties of (Pb, Ti) co-doped BiFeO3 multiferroic ceramics

Abdelmadjid

Lukacs

Gheorghiu

2023

Ceramics International

View full text Add to dashboard Cite

New multiferroic BiFeO₃ with large polarization

Abstract: BiFeO3 is one of the most widely studied multiferroic materials, because of its large spontaneous polarization at room temperature, as well as ferroelasticity and antiferromagnetism. Using ab initio evolutionary algorithm,...

Cited by 8 publications

References 38 publications

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO₃

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO₃

Enhanced electrostatic energy storage achieved in BiFeO3-driven (Sr,Bi)TiO3 ceramics for high-voltage pulsed applications

Dielectric and magnetic properties of (Pb, Ti) co-doped BiFeO3 multiferroic ceramics

Contact Info

Product

Resources

About

New multiferroic BiFeO3 with large polarization

Abstract: BiFeO3 is one of the most widely studied multiferroic materials, because of its large spontaneous polarization at room temperature, as well as ferroelasticity and antiferromagnetism. Using ab initio evolutionary algorithm,...

Cited by 8 publications

References 38 publications

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO3

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO3

Enhanced electrostatic energy storage achieved in BiFeO3-driven (Sr,Bi)TiO3 ceramics for high-voltage pulsed applications

Dielectric and magnetic properties of (Pb, Ti) co-doped BiFeO3 multiferroic ceramics

Contact Info

Product

Resources

About

New multiferroic BiFeO₃ with large polarization

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO₃

Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO₃