Jump to main content
Jump to site search


First-Principles Calculation of K1-xNaxNbO3 Solid Solutions on Electronic Properties, Structure, and Phase Transition

Abstract

The K1-xNaxNbO3 (KNN) structure, total energy and orthorhombic as well as tetragonal electronic properties as a function of Na concentration were studied with first principles calculations. The Na content of KNN was gradually increased when the orthogonal phase transformation was carried out, which produced an enhanced piezoelectric response of the tetragonal KNN. In addition, our calculations supply an explain of an unusual high peak of the KNN piezoelectric parameter which was found by experimental, and shows the same trend as the experiment results.

Back to tab navigation

Supplementary files

Publication details

The article was received on 22 Aug 2017, accepted on 11 Sep 2017 and first published on 11 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP05728H
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
  •   Request permissions

    First-Principles Calculation of K1-xNaxNbO3 Solid Solutions on Electronic Properties, Structure, and Phase Transition

    D. Yang, Q. Chai, L. Wei, X. Chao and Z. yang, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP05728H

Search articles by author

Spotlight

Advertisements