@article{a3f5bfda55a94b6cb3d1eb5e5f94a641,
title = "Thermodynamic and phase-field studies of phase transitions, domain structures, and switching for Ba(ZrxTi1− x)O3 solid solutions",
abstract = "While extensive experimental activities have been carried out to study the phase transitions and ferroelectric properties of BaZrxTi1- xO3 solid solutions, the corresponding theoretical understanding is largely lacking due to the unavailability of thermodynamic potentials for this system. In this work, an eighth-order polynomial of thermodynamic potential for BaZrxTi1- xO3 (x≤0.3) solid solutions is established based on the existing potential coefficients of BaTiO3 and theexperimentally measured phase diagram of BaZrxTi1- xO3 solid solutions. It is then employed to predict and understand the domain structures and switching for BaZrxTi1- xO3 (x ≤0.3) single crystals using phase-field simulations. The simulated domain structures and switching are consistent with thermodynamic analysis and available experimental measurements, validating the established thermodynamic potential. It is expected that this thermodynamic potential will find wide applications to studying the phase transitions and ferroelectric properties of BaZrxTi1- xO3 (x ≤0.3) bulk and nanoscale materials.",
author = "Huang, {Yu Hui} and Wang, {Jian Jun} and Yang, {Tian Nan} and Cheng, {Xiao Xing} and Bing Liu and Wu, {Yong Jun} and Chen, {Long Qing}",
note = "Funding Information: This work was financially supported by the National Natural Science Foundation of China (No. 51572237, 51802280), the NSFC-Zhejiang Joint Fund for the Integration of Industrialization and Informatization (U1909212), the National Key R&DProgram of China (No.2018YFC0114902), Natural Science Foundation of Zhejiang Province (No. LZ17E020003), J. J. Wang and L. Q. Chen gratefully acknowledge the partial support from the Army Research Office under grant number W911NF-17-1-0462. L. Q. Chen acknowledges the Donald W. Hamer Foundation for the Hamer Professorship at Penn State. Y. H. Huang also gratefully acknowledges the financial support from China Scholarship Council. Funding Information: This work was financially supported by the National Natural Science Foundation of China (No. 51572237 , 51802280 ), the NSFC-Zhejiang Joint Fund for the Integration of Industrialization and Informatization (U1909212), the National Key R&DProgram of China (No.2018YFC0114902), Natural Science Foundation of Zhejiang Province (No. LZ17E020003 ), J. J. Wang and L. Q. Chen gratefully acknowledge the partial support from the Army Research Office under grant number W911NF-17-1-0462. L. Q. Chen acknowledges the Donald W. Hamer Foundation for the Hamer Professorship at Penn State. Y. H. Huang also gratefully acknowledges the financial support from China Scholarship Council. Publisher Copyright: {\textcopyright} 2020 Acta Materialia Inc.",
year = "2020",
month = mar,
doi = "10.1016/j.actamat.2020.01.019",
language = "English (US)",
volume = "186",
pages = "609--615",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier Limited",
}