Abstract:
:Nonequilibrium atomic structures can host exotic and technologically relevant properties in otherwise conventional materials. Oxygen octahedral rotation forms a fundamental atomic distortion in perovskite oxides, but only a few patterns are predominantly present at equilibrium. This has restricted the range of possible properties and functions of perovskite oxides, necessitating the utilization of nonequilibrium patterns of octahedral rotation. Here, we report that a designed metastable pattern of octahedral rotation leads to robust room-temperature ferroelectricity in CaTiO3, which is otherwise nonpolar down to 0 K. Guided by density-functional theory, we selectively stabilize the metastable pattern, distinct from the equilibrium pattern and cooperative with ferroelectricity, in heteroepitaxial films of CaTiO3. Atomic-scale imaging combined with deep neural network analysis confirms a close correlation between the metastable pattern and ferroelectricity. This work reveals a hidden but functional pattern of oxygen octahedral rotation and opens avenues for designing multifunctional materials.
journal_name
Nat Communjournal_title
Nature communicationsauthors
Kim JR,Jang J,Go KJ,Park SY,Roh CJ,Bonini J,Kim J,Lee HG,Rabe KM,Lee JS,Choi SY,Noh TW,Lee Ddoi
10.1038/s41467-020-18741-wsubject
Has Abstractpub_date
2020-10-02 00:00:00pages
4944issue
1issn
2041-1723pii
10.1038/s41467-020-18741-wjournal_volume
11pub_type
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