Please use this identifier to cite or link to this item:
Title: Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3)
Authors: Wiranwit Wangkawee
Laongnuan Srisombat
Piyarat Nimmanpipug
Keywords: Materials Science
Physics and Astronomy
Issue Date: 2-Jan-2014
Abstract: The structural and vibrational properties of doped and non-doped tetragonal barium titanate were predicted from density functional theories (DFT) with LDA and GGA/PW91. The doped structures were doped with niobium ion (Nb5+) and ferrous (Fe2+) that substitute at the titanium sites. All possible structures were generated and assessed. The results indicate that the splitting of phonon modes was observed in doped structures which have been considered responsible for the ferroelectric instability. © 2014 Copyright Taylor and Francis Group, LLC.
ISSN: 15635112
Appears in Collections:CMUL: Journal Articles

Files in This Item:
There are no files associated with this item.

Items in CMUIR are protected by copyright, with all rights reserved, unless otherwise indicated.