Interplay between Ca- and Ti-driven ferroelectric distortions in (Ba, Ca)TiO3 solid solutions from first-principles calculations
Author:
Affiliation:
1. Physique Théorique des Matériaux, Q-MAT, CESAM, Université de Liège (B5), B-4000 Liège, Belgium
2. ICMCB, CNRS, Université de Bordeaux, UMR 5026, F-33600 Pessac, France
Funder
European Commission
Publisher
AIP Publishing
Subject
Physics and Astronomy (miscellaneous)
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5065655
Reference37 articles.
1. Large Piezoelectric Effect in Pb-Free Ceramics
2. Origin of the High Piezoelectric Response inPbZr1−xTixO3
3. A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solution
4. Revised structural phase diagram of (Ba0.7Ca0.3TiO3)-(BaZr0.2Ti0.8O3)
5. Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics
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1. Stability of the tetragonal phase of BaZrO3 under high pressure;Physical Review B;2022-08-16
2. Significant displacement of calcium and barium ions in ferroelectric (Ba0.9Ca0.1)TiO3 revealed by x-ray fluorescence holography;Applied Physics Letters;2022-01-31
3. Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles;Annual Review of Condensed Matter Physics;2021-12-06
4. Coexistence of local structural heterogeneities and long-range ferroelectricity in Pb-free (1−x)Ba(Zr0.2Ti0.8)O3−x(Ba0.7Ca0.3)TiO3 ceramics;Physical Review B;2021-03-29
5. Understanding A and B-site engineered lead-free Ba(1−x)CaxZryTi(1−y)O3 piezoceramics: a perspective from DFT;Journal of Materials Chemistry C;2021
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