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Electronic and Structural Properties of ABO(3): Role of the B-O Coulomb Repulsions for Ferroelectricity

We have investigated the role of the Ti–O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO [Formula: see text] as well as the role of the Zn–O Coulomb repulsions in BiZn [Formula: see text] Ti [Formula: see text] O [Formula: see text] , using a first-principles calculation wi...

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Detalles Bibliográficos
Autores principales:	Miura, Kaoru, Azuma, Masaki, Funakubo, Hiroshi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2011
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5448477/ https://www.ncbi.nlm.nih.gov/pubmed/28879987 http://dx.doi.org/10.3390/ma4010260

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