Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)

Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)

The investigation of structural and electric properties of doped perovskite barium titanate (BaTi 0.6 Ni 0.2 Fe 0.1 O 3 ) was carried out in this study. All possible structures were generated and assessed. The change in octahedral hole geometry and electronic structure were calculated and evaluated...

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Main Authors: Aroon Saelor, Kanapos Wankawee, Laongnuan Srisombat, Vannajan Sanghiran Lee, Piyarat Nimmanpipug
Format: Journal
Published: 2018
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84903131556&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/44974
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Institution: Chiang Mai University
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spelling th-cmuir.6653943832-449742018-01-24T06:02:16Z Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>) Aroon Saelor Kanapos Wankawee Laongnuan Srisombat Vannajan Sanghiran Lee Piyarat Nimmanpipug The investigation of structural and electric properties of doped perovskite barium titanate (BaTi 0.6 Ni 0.2 Fe 0.1 O 3 ) was carried out in this study. All possible structures were generated and assessed. The change in octahedral hole geometry and electronic structure were calculated and evaluated using density functional theories (DFT) with LDA/PWC functions. The results indicate the distortion of octahedral hole of iron and its neighboring site. In addition, the direction of strain induced vectors was analyzed and located. © 2014 Taylor & Francis Group, LLC. 2018-01-24T06:02:16Z 2018-01-24T06:02:16Z 2014-09-02 Journal 16078489 10584587 2-s2.0-84903131556 10.1080/10584587.2014.906201 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84903131556&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/44974
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
description The investigation of structural and electric properties of doped perovskite barium titanate (BaTi 0.6 Ni 0.2 Fe 0.1 O 3 ) was carried out in this study. All possible structures were generated and assessed. The change in octahedral hole geometry and electronic structure were calculated and evaluated using density functional theories (DFT) with LDA/PWC functions. The results indicate the distortion of octahedral hole of iron and its neighboring site. In addition, the direction of strain induced vectors was analyzed and located. © 2014 Taylor & Francis Group, LLC.
format Journal
author Aroon Saelor
Kanapos Wankawee
Laongnuan Srisombat
Vannajan Sanghiran Lee
Piyarat Nimmanpipug
spellingShingle Aroon Saelor
Kanapos Wankawee
Laongnuan Srisombat
Vannajan Sanghiran Lee
Piyarat Nimmanpipug
Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)
author_facet Aroon Saelor
Kanapos Wankawee
Laongnuan Srisombat
Vannajan Sanghiran Lee
Piyarat Nimmanpipug
author_sort Aroon Saelor
title Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)
title_short Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)
title_full Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)
title_fullStr Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)
title_full_unstemmed Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi<inf>0.6</inf>Ni<inf>0.2</inf>Fe<inf>0.1</inf>O<inf>3</inf>)
title_sort investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (bati<inf>0.6</inf>ni<inf>0.2</inf>fe<inf>0.1</inf>o<inf>3</inf>)
publishDate 2018
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84903131556&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/44974
_version_ 1681422659130228736

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