Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO3 across morphotropic phase boundary |
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| Authors: | Cheng‐Sao Chen Chi‐Shun Tu Pin‐Yi Chen Wei Sea Chang Yves U. Idzerda Yi Ting Jenn‐Min Lee Chang Wei Yu |
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| Affiliation: | 1. Department of Mechanical Engineering, Hwa Hsia University of Technology, New Taipei City, Taiwan;2. Department of Physics, Fu Jen Catholic University, New Taipei City, Taiwan;3. Department of Mechanical Engineering, Ming Chi University of Technology, New Taipei City, Taiwan;4. School of Engineering, Monash University, Bandar Sunway, Selangor, Malaysia;5. Department of Physics, Montana State University, Bozeman, Montana;6. National Synchrotron Radiation Research Center, Hsinchu, Taiwan |
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| Abstract: | This work demonstrates the critical role of orbital hybridizations in the FeO6 octahedral distortion, composition‐driven phase transition, and bonding covalency in multiferroic (Bi1?xSmx)FeO3 (x = 0.10‐0.20) ceramics in the vicinity of the morphotropic phase boundary (MPB). Sequential composition‐driven transitions from the polar rhombohedral R3c to antipolar orthorhombic Pbam and then Pnma phases were revealed as the system crosses the MPB with increasing Sm. A coexistence of ferroelectric (FE) rhombohedral R3c and antiferroelectric (AFE) PbZrO3‐like orthorhombic Pbam symmetries was identified by the 1/2{000}, 1/4{100}, 1/4{110}, 1/4{111}, and 1/4{121} superlattice diffractions at x = 0.12‐0.16. In addition to R3c and Pbam space groups, the nonpolar SmFeO3‐like orthorhombic Pnma space group becomes the predominant phase at x = 0.20 confirmed by the 1/2{100} superlattice diffractions. The Fe L3‐edge and oxygen K‐edge synchrotron X‐ray absorptions indicate that the O 2p–Fe 3d and O 2p–Bi 6s/6p orbital hybridizations were decreased as the system approaches the MPB. |
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| Keywords: | domains microstructure multiferroics phase transformations |
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