@article{0053c7ee7e554b1ba0f554a6dc29acf2,
title = "Role of O 2p-Ti 3d orbital hybridization in dielectric and ferroelectric properties of barium zirconate titanate ceramics",
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.",
keywords = "C. Raman spectroscopy, C. XAFS (XANES), D. Dielectric properties, D. Ferroelectricity",
author = "Ruiz, {Flora Mae} and Jesuraj Anthoniappen and Tu, {Chi Shun} and Chen, {Pin Yi} and Chen, {Cheng Sao} and Wang, {Sheng Fen} and Chang, {Wei Sea}",
note = "Funding Information: This study is supported by the Research Enrichment Program Grant under Accelerated Science and Technology Human Resource Development Program (ASTHRDP) of the Department of Science and Technology (DOST), Republic of the Philippines . We acknowledge the significant contributions rendered by the Multiferroic Research Laboratory at Fu Jen Catholic University (Taiwan), Materials Research Laboratory at Ming Chi University of Technology (Taiwan), the National Synchrotron Radiation Research Center (Taiwan) and Nano-Analytical Platform (NAP) of Monash University (Malaysia). Funding Information: This study is supported by the Research Enrichment Program Grant under Accelerated Science and Technology Human Resource Development Program (ASTHRDP) of the Department of Science and Technology (DOST), Republic of the Philippines. We acknowledge the significant contributions rendered by the Multiferroic Research Laboratory at Fu Jen Catholic University (Taiwan), Materials Research Laboratory at Ming Chi University of Technology (Taiwan), the National Synchrotron Radiation Research Center (Taiwan) and Nano-Analytical Platform (NAP) of Monash University (Malaysia). Publisher Copyright: {\textcopyright} 2020 Elsevier Ltd Copyright: Copyright 2020 Elsevier B.V., All rights reserved.",
year = "2020",
month = sep,
doi = "10.1016/j.materresbull.2020.110905",
language = "English",
volume = "129",
journal = "Materials Research Bulletin",
issn = "0025-5408",
publisher = "Elsevier",
}