Abstract
We report first-principles calculations for one of the few materials that is believed to be a ferroelectric ferromagnet, . Our calculations show that, contrary to what has been reported so far, bulk does not have a polarization. Instead, like , it crystallizes into a centrosymmetric structure with space group . We also predict that will indeed be a ferroelectric ferromagnet if it is grown as an epitaxial film on a substrate with in-plane square symmetry and a lattice constant around 4 Å, such as or .
- Received 26 September 2016
- Revised 20 December 2016
DOI:https://doi.org/10.1103/PhysRevB.95.085129
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