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Author:

Liu Li-Ying (Liu Li-Ying.) | Wang Ru-Zhi (Wang Ru-Zhi.) (Scholars:王如志) | Zhu Man-Kang (Zhu Man-Kang.) | Hou Yu-Dong (Hou Yu-Dong.) (Scholars:侯育冬)

Indexed by:

EI Scopus SCIE CSCD

Abstract:

The effects of La doping on the ferroelectric properties of 0.92Na(0.5)Bi(0.5)TiO(3)-0.08BaTiO(3) (NBT-BT) solid solution have been studied both experimentally and theoretically. The experimental results show that an abnormal ferro-to-antiferroelectric phase transition is induced by La doping in NBT-BT. The first-principles calculations indicate that La3+ cations selectively substitute for the A site in NBT-BT as donors. Furthermore, the computed binding energy reveals that La cations is most likely to substitute Ba2+ or Na+, not Bi3+, at A site as donors in NBT-BT, as supported by our Raman spectra. The ferro-to-antiferroelectric phase transition of La-doped NBT-BT is believed to originate from the lattice aberrance and redistribution of valence electrons, thus strengthening the bonding of A-O, enhancing the hybridization between the A cation d orbital and O 2p orbital, and resulting in the deflection of the polar direction of NBT-BT lattice.

Keyword:

Na0.5Bi0.5TiO3 first principles occupation selectivity phase transition

Author Community:

  • [ 1 ] [Liu Li-Ying]Beijing Univ Technol, Sch Appl Math & Phys, Beijing 100124, Peoples R China
  • [ 2 ] [Wang Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Zhu Man-Kang]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Hou Yu-Dong]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

Reprint Author's Address:

  • 王如志

    [Wang Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

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Source :

CHINESE PHYSICS B

ISSN: 1674-1056

Year: 2013

Issue: 3

Volume: 22

1 . 7 0 0

JCR@2022

ESI Discipline: PHYSICS;

JCR Journal Grade:2

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 7

SCOPUS Cited Count: 8

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 7

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