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arXiv · 1702.04523

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

Lei Ding·Pascal Manuel·Dmitry D. Khalyavin·Fabio Orlandi·Yu Kumagai·Fumiyasu Oba·Wei Yi·Alexei A. Belik
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Abstract

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

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Lei Ding, Pascal Manuel, Dmitry D. Khalyavin, Fabio Orlandi, Yu Kumagai, Fumiyasu Oba, Wei Yi, Alexei A. Belik. 2017-02-15. Unusual magnetic structure of high-pressure synthesized perovskites ACrO3(A=Sc, In, Tl). https://doi.org/10.1103/physrevb.95.054432

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