Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3)
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 stru...
Saved in:
Main Authors: | , , |
---|---|
Format: | Journal |
Published: |
2018
|
Subjects: | |
Online Access: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84892846420&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/53647 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | Chiang Mai University |
id |
th-cmuir.6653943832-53647 |
---|---|
record_format |
dspace |
spelling |
th-cmuir.6653943832-536472018-09-04T10:01:23Z Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) Wiranwit Wangkawee Laongnuan Srisombat Piyarat Nimmanpipug Materials Science Physics and Astronomy 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. 2018-09-04T09:53:57Z 2018-09-04T09:53:57Z 2014-01-02 Journal 15635112 00150193 2-s2.0-84892846420 10.1080/00150193.2013.850330 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84892846420&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/53647 |
institution |
Chiang Mai University |
building |
Chiang Mai University Library |
country |
Thailand |
collection |
CMU Intellectual Repository |
topic |
Materials Science Physics and Astronomy |
spellingShingle |
Materials Science Physics and Astronomy Wiranwit Wangkawee Laongnuan Srisombat Piyarat Nimmanpipug Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) |
description |
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. |
format |
Journal |
author |
Wiranwit Wangkawee Laongnuan Srisombat Piyarat Nimmanpipug |
author_facet |
Wiranwit Wangkawee Laongnuan Srisombat Piyarat Nimmanpipug |
author_sort |
Wiranwit Wangkawee |
title |
Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) |
title_short |
Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) |
title_full |
Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) |
title_fullStr |
Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) |
title_full_unstemmed |
Investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (BaTi0.6Nb0.2Fe 0.1O3) |
title_sort |
investigation of vibrational properties and ferroelectric instability of doped perovskite barium titanate (bati0.6nb0.2fe 0.1o3) |
publishDate |
2018 |
url |
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84892846420&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/53647 |
_version_ |
1681424174338277376 |