Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects
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DOI: 10.1038/srep43482
Abstract: 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 ABO3 bulk ferroelectric oxides. Surprisingly,… read more here.
Keywords: vdw c09; towards accurate; c09; exchange ... See more keywords