The intrinsic piezoelectricity of monoclinic Pb(Zr_1-<i>x</i> Ti _<i>x</i> )O₃.

ABSTRACT: The phase diagram of Pb(Zr_1-x Ti _x )O₃ (PZT) is quite clear; however, the existence and intrinsic piezoelectricity of low-symmetry structures near the MPB (morphotropic phase boundary) remain subjects of considerable uncertainty. The impact of the MPB on the piezoelectric properties of PZT was investigated via first principles study. Different PZT structures were established by virtual crystal approximation (VCA). The density functional theory (DFT) with plane-wave basis set method was utilized to calculate the energy, elastic, and piezoelectric properties. The presence of the monoclinic phase in MPB was confirmed near x ∼ 0.53. This phase exhibited distinct piezoelectric properties. Although the coefficients d ₃₃

SUBMITTER: Niu J 

PROVIDER: S-EPMC11610901 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature