Low-temperature structure and the ferroelectric phase transitions in the CdTiO3 perovskite | Zendy

Brendan J. Kennedy | Zendy; Qingdi Zhou | Zendy; Shipeng Zhao | Zendy; Fanhao Jia | Zendy; Wei Ren | Zendy; Kevin S. Knight | Zendy

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Low-temperature structure and the ferroelectric phase transitions in the CdTiO3 perovskite

Author(s) -

Brendan J. Kennedy,

Qingdi Zhou,

Shipeng Zhao,

Fanhao Jia,

Wei Ren,

Kevin S. Knight

Publication year - 2017

Publication title -

physical review. b./physical review. b

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.78

H-Index - 465

eISSN - 2469-9969

pISSN - 2469-9950

DOI - 10.1103/physrevb.96.214105

Subject(s) - ferroelectricity , anisotropy , phase transition , physics , phonon , neutron diffraction , condensed matter physics , homogeneous space , materials science , crystallography , algorithm , crystal structure , dielectric , computer science , chemistry , optics , quantum mechanics , mathematics , geometry

Email: brendan.kennedy@sydney.edu.au; renwei@shu.edu.cn Abstract The paraelectric-ferroelectric transition in CdTiO3 has been monitored using high resolution neutron diffraction data. This necessitated preparing a sample enriched in Cd. A subtle, but significant, anisotropy in the thermal expansion of the lattice parameters for CdTiO3 associated with the transition to the polar structure was observed. First-principles calculations are presented to understand energies, phonon dispersion, and structures of possible phases with different symmetries.

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