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Structural Instability of Epitaxial (001) BiFeO(3) Thin Films under Tensile Strain

We explore BiFeO(3) under tensile strain using first-principles calculations. We find that the actual structures are more complex than what had been previously thought, and that there is a strong shear deformation type structural instability which modifies the properties. Specifically, we find that...

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Detalles Bibliográficos
Main Authors: Fan, Zhen, Wang, John, Sullivan, Michael B., Huan, Alfred, Singh, David J., Ong, Khuong P.
Formato: Artigo
Idioma:Inglês
Publicado: Nature Publishing Group 2014
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3982161/
https://ncbi.nlm.nih.gov/pubmed/24717537
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep04631
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