Role of O 2p-Ti 3d orbital hybridization in dielectric and ferroelectric properties of barium zirconate titanate ceramics

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Flora Mae Ruiz, Jesuraj Anthoniappen, Chi-Shun Tu, Pin-Yi Chen, Cheng-Sao Chen, Sheng-Fen Wang, Wei Sea Chang

2020 Materials Research Bulletin Vol. 129 Article Cited by 12 Quartile

Abstract

Barium zirconate titanate (BaZryTi1-yO3) ceramics for y = 0.10, 0.15 and 0.20 were synthesized using conventional solid-state method to study the effect of O 2p-Ti 3d orbital hybridization on dielectric and ferroelectric properties. X-ray diffraction, transmission electron microscopy and Rietveld refinement show structural phase transition from tetragonal P4mm to cubic Pm3¯m with increasing Zr concentration. Dielectric permittivity and Raman spectra show enhanced relaxor behavior which is attributed to decreased O 2p-Ti 3d orbital hybridization as Zr doping increased. Lattice distortion due to decreased O 2p-Ti 3d orbital hybridization induced by Zr doping caused lattice strain mismatch contributing to enhancement of dielectric permittivity. Reduced ferroelectric instability due to decreased Ti-O covalency with increasing Zr significantly reduced Pr values. Temperature dependent P-E loops shows increased Wrec and η implying no energy dissipation and good thermal stability of BZT perovskites even at elevated temperatures which is beneficial for energy storage applications. © 2020 Elsevier Ltd

Affiliations

Department of Physics, University of San Carlos, Talamban, Cebu City, 6000, Philippines; Department of Physics, Fu Jen Catholic University, New Taipei City, 24205, Taiwan; Department of Mechanical Engineering, Ming Chi University of Technology, New Taipei City, 24301, Taiwan; Department of Mechanical Engineering, Hwa Hsia University of Technology, New Taipei City, 23567, Taiwan; Mechanical Engineering Discipline, School of Engineering, Monash University, Bandar Sunway, Selangor, 47500, Malaysia