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Magnetic structures of metastable perovskites ScCrO3, InCrO3 and TlCrO3,stabilized under high-pressure and high-temperature conditions, have beenstudied by neutron powder diffraction. Similar to the other orthochromitesLnCrO3 (Ln=lanthanide or Y), these materials crystallize into the orthorhombicstructure with Pnma10 symmetry. The spin configuration of the metastableperovskites has been found to be C-type, contrasting with the G-type structureusually observed in LnCrO3. First-principles calculations demonstrate that theCtype structure found in ScCrO3 and InCrO3 is attributed to a ferromagnetic(FM) nearest-neighbor interaction, while in TlCrO3, this type of magneticordering is stabilized by a strong next-nearest-neighbor antiferromagnetic(AFM) exchange. The spins in the C-type magnetic structure line up along theorthorhombic b-axis, yielding the Pnma magnetic symmetry. The dominantmechanism controlling this spin direction has been concluded to be the singleion anisotropy imposed by a uniaxial distortion of CrO6 octahedra.

Unusual magnetic structure of high-pressure synthesized perovskites ACrO3(A=Sc, In, Tl)