Hexagonal $\mathrm{LuFe}{\mathrm{O}}_3$ has drawn a lot of research attention due to its contentious room-temperature multiferroicity. Due to the instability of hexagonal phase in the bulk form, most experimental studies focused on $\mathrm{LuFe}{\mathrm{O}}_3$ thin films which can be stabilized by strain using proper substrates. Here we report on the hexagonal phase stabilization, magnetism, and magnetoelectric coupling of bulk $\mathrm{LuFe}{\mathrm{O}}_3$ by partial Sc substitution of Lu. First, our first-principles calculations show that the hexagonal structure can be stabilized by partial Sc substitution, while the multiferroic properties, including the noncollinear magnetic order and geometric ferroelectricity, remain robustly unaffected. Therefore, $\mathrm{L}{\mathrm{u}}_{1-x}\mathrm{S}{\mathrm{c}}_x\mathrm{Fe}{\mathrm{O}}_3$ can act as a platform to check the multiferroicity of $\mathrm{LuFe}{\mathrm{O}}_3$ and related materials in the bulk form. Second, the magnetic characterizations on bulk $\mathrm{L}{\mathrm{u}}_{1-x}\mathrm{S}{\mathrm{c}}_x\mathrm{Fe}{\mathrm{O}}_3$ demonstrate a magnetic anomaly (probable antiferromagnetic ordering) above room temperature, ∼425–445 K, followed by magnetic transitions in low temperatures (∼167–172 K). In addition, a magnetoelectric response is observed in the low-temperature region. Our study provides useful information on the multiferroic physics of hexagonal $R\mathrm{Fe}{\mathrm{O}}_3$ and related systems.

• Received 13 October 2015
• Revised 24 January 2016

DOI:https://doi.org/10.1103/PhysRevB.93.075146