First principles study on the piezoelectricity of KNN alloys

POSTER

Abstract

To understand the physical significance for the high piezoelectric response in K1-xNaxNbO3 (KNN) material, the geometric structure, total energy, elastic constant, Born effective charge and piezoelectric constant of orthorhombic K1-xNaxNbO3 perovskite solid solutions at various x (from 0 to 1) are investigated using first principles calculations for supercells. The results show that lattice parameters of K1-xNaxNbO3 supercells decrease monotonously with the increasing value of x. However, the piezoelectricity exhibits parabolic-like relation with x, and the longitudinal piezoelectric coefficient d33* reaches a maximum at about x=0.5625, where the morphotropic phase boundary is expected to occur in K1-xNaxNbO3 material.

Presenters

  • Yuting Peng

    University of Texas at Arlington, University of Texas at Arlington, University of Texas, Arlington

Authors

  • Yuting Peng

    University of Texas at Arlington, University of Texas at Arlington, University of Texas, Arlington

  • Zhi Tan

    University of Texas at Arlington, Sichuan University

  • Jiao An

    University of Texas, Arlington, University of Texas at Arlington

  • Qiming Zhang

    University of Texas at Arlington, University of Texas, Arlington