Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects

Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO(3) bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of e...

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Detalles Bibliográficos
Autores principales: Yuk, Simuck F., Pitike, Krishna Chaitanya, Nakhmanson, Serge M., Eisenbach, Markus, Li, Ying Wai, Cooper, Valentino R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5335310/
https://www.ncbi.nlm.nih.gov/pubmed/28256544
http://dx.doi.org/10.1038/srep43482

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5335310/
https://www.ncbi.nlm.nih.gov/pubmed/28256544
http://dx.doi.org/10.1038/srep43482

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