Effects of Fe 3d–O 2p and Bi 6sp–O 2p orbital hybridizations in Nd doped BiFeO3 ceramics

Chang, Wen-Kuei; Tu, Chi Shun; Chen, Pin Yi; Chen, Cheng Sao; Lin, Chun‐Yen; Feng, Kuei Chih; Hsieh, Yi Lin; Huang, You Hsuan

doi:10.1016/j.jallcom.2017.03.329

Cited by 35 publications

(28 citation statements)

References 76 publications

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“…In other words, the Fe–O bonding covalency was decreased by the Sm substitution. A reduced O 2 p –Fe 3 d orbital hybridization was also reported in (Bi 1‐ x Nd x )FeO 3 , (Bi 1‐ x Gd x )FeO 3 , and (Bi 0.9 La 0.1 )FeO 3 ceramics …”

Section: Resultssupporting

confidence: 60%

“…It also suggests that the Bi–O bonding covalency was reduced by the Sm substitution before the system crosses the MPB, i.e., x ≤ 0.16. A reduced O 2 p –Bi 6 s /6 p orbital hybridization was also reported in (Bi 1− x Nd x )FeO 3 and (Bi 0.9 La 0.1 )FeO 3 ceramics . The first‐principles calculation suggests that the hybridization between the O 2 p and the Bi 6 s orbitals is the main origin for the structure distortion .…”

Section: Resultsmentioning

confidence: 55%

“…Similar reduced Fe 3d-4p orbital hybridization behavior by the Asite rare-earth substitutions were reported in the La- 54 and Nd-doped BFO ceramics. 56 As indicated by the dashed lines in the inset, the maximum of the peak C shows a slight shift toward higher energies from~7134. uperexchange may prefer an AFM ordering.…”

Section: Resultsmentioning

confidence: 91%

“…This result suggests that the A‐site Sm substitution increases the unoccupied states of the Fe 4 p orbitals and reduces the Fe 3 d –4 p orbital hybridization. Similar reduced Fe 3 d –4 p orbital hybridization behavior by the A‐site rare‐earth substitutions were reported in the La‐ and Nd‐doped BFO ceramics . As indicated by the dashed lines in the inset, the maximum of the peak C shows a slight shift toward higher energies from ~7134.3 eV (BFO) to ~7135.8 eV (BFO20Sm), implying a valence shift toward higher oxidation state.…”

Section: Resultsmentioning

confidence: 99%

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Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO₃ across morphotropic phase boundary

Chen

et al. 2017

J Am Ceram Soc

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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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Section: Resultssupporting

confidence: 60%

Section: Resultsmentioning

confidence: 55%

Section: Resultsmentioning

confidence: 91%

Section: Resultsmentioning

confidence: 99%

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Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO₃ across morphotropic phase boundary

Chen

et al. 2017

J Am Ceram Soc

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“…A structural transition from a ferroelectric rhombohedral R3c to a nonpolar orthorhombic Pnma structure was proposed upon heating in (Bi 1-x RE x )FeO 3 based on average A-site ionic radii [45]. The XRD and TEM studies revealed a rhombohedral R3c phase in (Bi 1-x Nd x )FeO 3 ceramics for 0 x 0.1 [46,47]. Our previous study in (Bi 1-x Nd x )FeO 3 (0 x 0.10) ceramics suggests that A-site Nd substitution decreases hybridizations of the O 2p-Fe 3d and the O 2p-Bi 6sp orbitals [47].…”

Section: Introductionmentioning

confidence: 96%

Photovoltaic conversion and quantum efficiency in perovskite multiferroic ceramics

Chen

et al. 2018

Acta Materialia

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Ionic Liquid‐Mediated Scanning Probe Electro‐Oxidative Lithography as a Novel Tool for Engineering Functional Oxide Micro‐ and Nano‐Architectures

Sadowski

Mangolini

2023

Adv Funct Materials

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Functional oxides have extensively been investigated as a promising class of materials in a broad range of innovative applications. Harnessing the novel properties of functional oxides in micro‐ to nano‐scale applications hinges on establishing advanced fabrication and manufacturing techniques able to synthesize these materials in an accurate and reliable manner. Oxidative scanning probe lithography (o‐SPL), an atomic force microscopy (AFM) technique based on anodic oxidation at the water meniscus formed at the tip/substrate contact, not only combines the advantages of both “top‐down” and “bottom‐up” fabrication approaches, but also offers the possibility of fabricating oxide nanomaterials with high patterning accuracy. While the use of self‐assembled monolayers (SAMs) broadened the application of o‐SPL, significant challenges have emerged owing to the relatively limited number of SAM/solid surface combinations that can be employed for o‐SPL, which constrains the ability to control the chemistry and structure of oxides formed by o‐SPL. In this work, a new o‐SPL technique that utilizes room‐temperature ionic liquids (RTILs) as the functionalizing material to mediate the electrochemistry at AFM tip/substrate contacts is reported. The results show that the new IL‐mediated o‐SPL (IL‐o‐SPL) approach allows sub‐100 nm oxide features to be patterned on a model solid surface, namely steel, with an initiation voltage as low as −2 V. Moreover, this approach enables high tunability of both the chemical state and morphology of the patterned iron oxide structures. Owing to the high chemical compatibility of ILs, which derives from the possibility of synthesizing ILs able to adsorb on a wide variety of solid surfaces, IL‐o‐SPL can be extended to other material surfaces and provide the opportunity to accurately tailor the chemistry, morphology, and electronic properties within nanoscale domains, thus opening new pathways to the development of novel micro‐ and nano‐architectures for advanced integrated devices.

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Effects of Fe 3d–O 2p and Bi 6sp–O 2p orbital hybridizations in Nd doped BiFeO3 ceramics

Cited by 35 publications

References 76 publications

Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO₃ across morphotropic phase boundary

Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO₃ across morphotropic phase boundary

Photovoltaic conversion and quantum efficiency in perovskite multiferroic ceramics

Ionic Liquid‐Mediated Scanning Probe Electro‐Oxidative Lithography as a Novel Tool for Engineering Functional Oxide Micro‐ and Nano‐Architectures

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Effects of Fe 3d–O 2p and Bi 6sp–O 2p orbital hybridizations in Nd doped BiFeO3 ceramics

Cited by 35 publications

References 76 publications

Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO3 across morphotropic phase boundary

Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO3 across morphotropic phase boundary

Photovoltaic conversion and quantum efficiency in perovskite multiferroic ceramics

Ionic Liquid‐Mediated Scanning Probe Electro‐Oxidative Lithography as a Novel Tool for Engineering Functional Oxide Micro‐ and Nano‐Architectures

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Product

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Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO₃ across morphotropic phase boundary

Micro‐to‐nano domain structure and orbital hybridization in rare‐earth‐doped BiFeO₃ across morphotropic phase boundary