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19972007
most citedFirst-principles study of spontaneous polarization in multiferroic BiFeO

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cond-mat.other2005★ 34 cited

Fcc breathing instability in BaBiO_3 from first principles

T. Thonhauser, K. M. Rabe

We present first-principles density-functional calculations using the local density approximation to investigate the structural instability of cubic perovskite BaBiO_3. This materi…