MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor

Xiaoyan Tan, Emma E. McCabe, Fabio Orlandi, Pascal Manuel, Maria Batuk, Joke Hadermann, Zheng Deng, Changqing Jin, Israel Nowik, Rolfe Herber, Carlo U. Segre, Sizhan Liu, Mark Croft, Chang Jong Kang, Saul Lapidus, Corey E. Frank, Haricharan Padmanabhan, Venkatraman Gopalan, Meixia Wu, Man Rong LiGabriel Kotliar, David Walker, Martha Greenblatt

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Abstract

A transition-metal-only MnFe 0.5 Ru 0.5 O 3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO 2 , Fe 2 O 3 , RuO 2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe 0.5 Ru 0.5 O 3 adopts the corundum (α-Fe 2 O 3 ) structure type with space group R3c, in which all metal ions are disordered. The centrosymmetric nature of the MnFe 0.5 Ru 0.5 O 3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mössbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe 0.5 Ru 0.5 O 3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe 0.5 Ru 0.5 O 3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe 0.5 Ru 0.5 O 3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. 57 Fe Mössbauer confirmed the magnetic ordering and Fe 3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe 0.5 Ru 0.5 O 3 and related corundum Mn 2 BB′O 6 derivatives is discussed.

Original languageEnglish (US)
Pages (from-to)509-522
Number of pages14
JournalJournal of Materials Chemistry C
Volume7
Issue number3
DOIs
StatePublished - Jan 1 2019

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Chemistry

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    Tan, X., McCabe, E. E., Orlandi, F., Manuel, P., Batuk, M., Hadermann, J., Deng, Z., Jin, C., Nowik, I., Herber, R., Segre, C. U., Liu, S., Croft, M., Kang, C. J., Lapidus, S., Frank, C. E., Padmanabhan, H., Gopalan, V., Wu, M., ... Greenblatt, M. (2019). MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor. Journal of Materials Chemistry C, 7(3), 509-522. https://doi.org/10.1039/c8tc05059g