TY - JOUR
T1 - Designing high piezoelectric properties at the BaTiO3-PbZrO3-PbTiO3 phase boundary by Landau-Devonshire theory
AU - Song, Yu
AU - Shi, Xiaoming
AU - Li, Dan
AU - Wang, Jing
AU - Huang, Houbing
N1 - Publisher Copyright:
© The Author(s)
PY - 2024/4/1
Y1 - 2024/4/1
N2 - Ferroelectric materials possessing exceptional piezoelectric attributes have garnered widespread utilization in various applications. Solid solution systems improve piezoelectric properties through multiphase mixing, but the methodologies for effective design remain wanting. Based on the Landau-Devonshire theory, we propose a theoretical design method. Binary materials with morphotropic phase boundary (MPB) compositions are added with new elements to increase the free energy of the original stabilized phase and lower the energy barrier (EB). Flatter EBsand higher piezoelectric coefficients are found at the phase boundaries of the ternary system. By calculating the phase diagram, piezoelectric coefficient, dielectric constant, polarization, and EBs, we reveal the origin of the highest piezoelectric coefficient at the phase boundaries. This study underscores the importance of the EBs for polarization rotation in characterizing piezoelectric properties and proposes a theoretical design method for exploring materials with high piezoelectric coefficients.
AB - Ferroelectric materials possessing exceptional piezoelectric attributes have garnered widespread utilization in various applications. Solid solution systems improve piezoelectric properties through multiphase mixing, but the methodologies for effective design remain wanting. Based on the Landau-Devonshire theory, we propose a theoretical design method. Binary materials with morphotropic phase boundary (MPB) compositions are added with new elements to increase the free energy of the original stabilized phase and lower the energy barrier (EB). Flatter EBsand higher piezoelectric coefficients are found at the phase boundaries of the ternary system. By calculating the phase diagram, piezoelectric coefficient, dielectric constant, polarization, and EBs, we reveal the origin of the highest piezoelectric coefficient at the phase boundaries. This study underscores the importance of the EBs for polarization rotation in characterizing piezoelectric properties and proposes a theoretical design method for exploring materials with high piezoelectric coefficients.
KW - BaTiO-PbZrO-PbTiO
KW - free energy barrier
KW - Landau-Devonshire theory
KW - piezoelectric properties
KW - thermodynamic calculation
UR - http://www.scopus.com/inward/record.url?scp=85191865999&partnerID=8YFLogxK
U2 - 10.1142/S2010135X23400027
DO - 10.1142/S2010135X23400027
M3 - Article
AN - SCOPUS:85191865999
SN - 2010-135X
VL - 14
JO - Journal of Advanced Dielectrics
JF - Journal of Advanced Dielectrics
IS - 2
M1 - 2340002
ER -