Paper Title:
Electron Structure and Piezoelectric Characteristics of PMZN System Piezoceramics
  Abstract

The electron structure of Pb(Zr1/2Ti1/2)O3(PZT), Pb(Zn1/3Nb2/3)O3(PZN) and Pb(Mn1/3Sb2/3)O3 (PMS) systems was calculated by the SCF-DV-Xα calculation method. The effects of ABO3-type perovskite and pyrochlore ceramic electron structure on their piezoelectricity were also studied. The results showed that the ferroelectric phase is more stable than paraelectric phase and the necessary condition of stable existing ferroelectric is the mixed orbit of O2p orbit and the out layer d orbit of B-site atom. The stability of ferroelectricity can be indicated by the strength of mixed orbit. When (Zr, Ti) was substituted by Mn1/3Sb2/3, Zn1/3Nb2/3, if it could form tetragonal perovskite structure, the total system energy would reduce and the mixed orbit will enhance, which improves the ferroelectricity of PZT system. However, if it forms a cubic pyrochlore structure, the ferroelectricity would lose because the covalent bond strength of B-O (axial direction) and B-O (vertical axial direction) is different obviously, which lead to the system structure become unstable.

  Info
Periodical
Key Engineering Materials (Volumes 280-283)
Edited by
Wei Pan, Jianghong Gong, Chang-Chun Ge and Jing-Feng Li
Pages
185-188
DOI
10.4028/www.scientific.net/KEM.280-283.185
Citation
J. Zhou, W. Chen, H. J. Sun, Q. Xu, "Electron Structure and Piezoelectric Characteristics of PMZN System Piezoceramics", Key Engineering Materials, Vols. 280-283, pp. 185-188, 2005
Online since
February 2007
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Xin Min Min, Gang Xu, Bing Chu Mei
Abstract:The relations between composition, electronic structure, chemical bond and property of composites of Ti3AlC2/TiB2, Ti2AlC/TiB2 and related...
53
Authors: Xin Min Min, Hong Fei Liu
Abstract:The related single phases, composites of TiB2/Cu and doped with Fe or Mo series were calculated by the density function and discrete...
140
Authors: Xin Min Min, Xuchao Wang
Chapter 4: Optical/Electronic/Magnetic Materials
Abstract:The relations between electronic structure and thermoelectric property of misfit layered cobaltite of Ca3Co4O9 and La-doped series are...
554
Authors: Mamta Chauhan, Dinesh Chandra Gupta, Idris Hamid Bhat
Abstract:We have performed ab-initio calculations to investigate the structural and electronic behavior of TiN in the stable B1 and high...
41
Authors: Nur Hafiz Hussin, Muhammad Noor Syazwan Saimin, Nunshaimah Salleh, Oskar Hasdinor Hassan, Muhd Zu Azhan Yahya, Mohamad Fariz Mohamad Taib
Chapter 2: Structure and Properties of Functional Materials
Abstract:In this study, first principles calculations based on density functional theory were used to evaluate optimized sructures and the total...
42