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The ferroelectric and cubic phases in BaTiO(3) ferroelectrics are also antiferroelectric
Using quantum mechanics (QM, Density Functional Theory) we show that all four phases of barium titanate (BaTiO(3)) have local Ti distortions toward 〈111〉 (an octahedral face). The stable rhombohedral phase has all distortions in phase (ferroelectric, FE), whereas higher temperature phases have antif...
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| Hlavní autoři: | , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
2006
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1595414/ https://ncbi.nlm.nih.gov/pubmed/17001003 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0606612103 |
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