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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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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
National Academy of Sciences
2006
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| Soggetti: | |
| Accesso online: | 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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