Cart (Loading....) | Create Account
Close category search window
 

The structural, dielectric, elastic, and piezoelectric properties of KNbO3 from first-principles methods

Sign In

Cookies must be enabled to login.After enabling cookies , please use refresh or reload or ctrl+f5 on the browser for the login options.

Formats Non-Member Member
$31 $31
Learn how you can qualify for the best price for this item!
Become an IEEE Member or Subscribe to
IEEE Xplore for exclusive pricing!
close button

puzzle piece

IEEE membership options for an individual and IEEE Xplore subscriptions for an organization offer the most affordable access to essential journal articles, conference papers, standards, eBooks, and eLearning courses.

Learn more about:

IEEE membership

IEEE Xplore subscriptions

3 Author(s)
Wan, L.F. ; Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA ; Nishimatsu, T. ; Beckman, S.P.

Your organization might have access to this article on the publisher's site. To check, click on this link:http://dx.doi.org/+10.1063/1.4712052 

The elastic and dielectric properties of the four experimentally known phases of KNbO3 (KNO) are investigated by first-principles methods. The atomic structure is reported along with the Born effective charge tensor to reveal the relation between Nb–O bonds hybridization and ferroelectric structural distortion. The dielectric, elastic, and piezoelectric properties of each phase are presented and compared to results in the literature. The computed structures are found to match experiment to an accuracy of approximately 2%. Although there have been very few experimental studies of single crystal KNO, it is found that the elastic parameters computed for orthorhombic KNO agree with the measured values to better than 25%, which is within the anticipated exchange-correlation error; however, the computed piezoelectric coefficient differ from the experimental values by as much as 50%, which suggests that the disagreement may not be solely due to the theoretical approximations.

Published in:

Journal of Applied Physics  (Volume:111 ,  Issue: 10 )

Date of Publication:

May 2012

Need Help?


IEEE Advancing Technology for Humanity About IEEE Xplore | Contact | Help | Terms of Use | Nondiscrimination Policy | Site Map | Privacy & Opting Out of Cookies

A not-for-profit organization, IEEE is the world's largest professional association for the advancement of technology.
© Copyright 2014 IEEE - All rights reserved. Use of this web site signifies your agreement to the terms and conditions.