Insights into Antisite Defect Complex Induced High Ferro-Piezoelectric Properties in KNbO3 Perovskite: First-Principles Study
Bei Li,
Yilun Zhang,
Meng Wang
et al.
Abstract:Improving ferro-piezoelectric properties of niobate-based perovskites is highly desirable for developing eco-friendly high-performance sensors and actuators. Although electro-strain coupling is usually obtained by constructing multiphase boundaries via complex chemical compositions, defect engineering can also create opportunities for novel property and functionality advancements. In this work, a representative tetragonal niobate-based perovskite, i.e., KNbO3, is studied by using first-principles calculations.… Show more
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