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 (Nb 5+ ) and ferrous (Fe 2+ ) that substitute at the titanium sites. All possible...
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| 格式: | 雜誌 |
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2018
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84892846420&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/45230 |
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| 機構: | Chiang Mai University |