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The concept of topology has been widely applied to condensed matter, goingbeyond the band crossover in reciprocal spaces. A recent breakthrough suggestedunconventional topological physics in a quadruple perovskiteTbMn$_3$Cr$_4$O$_{12}$, whose magnetism-induced polarization manifests a uniqueRoman surface topology [Nat. Commun. \textbf{13}, 2373 (2022)]. However, theavailable experimental evidence based on tiny polarizations of polycrystallinesamples is far from sufficient. Here, this topological multiferroicity isdemonstrated by using density functional theory calculations, which ideallyconfirms the Roman surface trajectory of magnetism-induced polarization. Inaddition, an alternative material in this category is proposed tosystematically enhance the performance, by promoting its magnetism-inducedpolarization to an easily detectable level.

First-principles demonstration of Roman surface topological multiferroicity