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

Wei Sea Chang, Chi Shun Tu, Pin Yi Chen, Cheng Sao Chen, Chun Yen Lin, Kuei Chih Feng, Yi Lin Hsieh, You Hsuan Huang

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    19 Citations (Scopus)


    This study highlights the importance of electronic hybridizations in the FeO6 octahedral distortion, structural evolution, magnetization, oxidation state and atomic bonding covalency in multiferroic (Bi1−xNdx)FeO3 (x = 0–0.10) ceramics as the system approaches the morphotropic phase boundary (MPB). The Rietveld-refinement analysis reveals reductions of bismuth deficiency, oxygen vacancies, and nonpolar Bi2Fe4O9 phase as Nd increases. The piezoresponse domain switching reveals a coexistence of polar ferroelectric rhombohedral and minor orthorhombic (nonpolar) phases. The piezoresponse ferroelectric polarization hysteresis loops are attributed to the reduced leaky conductivity in the Nd-doped compositions. The Fe K- and L2,3-edges synchrotron X-ray absorptions suggest a mixture of Fe3+ and Fe4+ valence states and reduction of the FeO6 octahedral distortion by the A-site Nd substitution. The oxygen K-edge synchrotron X-ray absorptions reveal that the hybridizations of the O 2p–Fe 3d and the O 2p–Bi 6sp orbitals were decreased with increasing Nd content.

    Original languageEnglish
    Pages (from-to)670-679
    Number of pages10
    JournalJournal of Alloys and Compounds
    Publication statusPublished - 5 Jul 2017


    • (BiNd)FeO ceramics
    • O 2p–Fe 3d hybridization
    • Phonon vibration
    • Piezoresponse domain
    • Rietveld refinement
    • Synchrotron X-ray absorption

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