MnFe0.5Ru0.5O3: an above-room-temperature antiferromagnetic semiconductor

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

doi:10.1039/c8tc05059g

Title: MnFe_0.5Ru_0.5O₃: an above-room-temperature antiferromagnetic semiconductor

Journal Article · 26 November 2018 · Journal of Materials Chemistry C

DOI: https://doi.org/10.1039/c8tc05059g · OSTI ID:1526044

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^[3]; Manuel, Pascal ^[3]; Batuk, Maria ^[4];

^[4]; Deng, Zheng ^[5]; Jin, Changqing ^[5]; Nowik, Israel ^[6];

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^[7]; Liu, Sizhan ^[8]; Croft, Mark ^[1];

^[1]; Lapidus, Saul ^[9];

^[1]; Padmanabhan, Haricharan ^[10]; Gopalan, Venkatraman ^[10]; Wu, Meixia ^[11];

^[11] more »

Rutgers Univ., Piscataway, NJ (United States)
Univ. of Kent, Kent (United Kingdom)
Rutherford Appleton Lab, Didcot (United Kingdom)
Univ. of Antwerp, Antwerp (Belgium)
Univ. of Chinese Sciences, Beijing (People's Republic of China)
The Hebrew Univ., Jerusalem (Israel)
Illinois Institute of Technology, Chicago, IL (United States)
New Jersey Institute of Technology, Newark, NJ (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Pennsylvania State Univ., University Park, PA (United States)
Sun Yat-Sen Univ., Guangzhou (People's Republic of China)
Columbia Univ., Palisades, NY (United States)

A transition-metal-only MnFe_0.5Ru_0.5O₃ polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO₂,FeO₃, RuO₂ at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe_0.5Ru_0.5O₃ adopts the corundum (a-Fe₂O₃) structure type with space group R$$ \bar{3} $$c, in which all metal ions are disordered. The centrosymmetric nature of the MnFe_0.5Ru_0.5O₃ 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_0.5Ru_0.5O₃ showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe_0.5Ru_0.5O₃ is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe_0.5Ru_0.5O₃ orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. ⁵⁷Fe Mössbauer confirmed the magnetic ordering and Fe³⁺ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. Furthermore, a comparison of synthesis and properties of MnFe_0.5Ru_0.5O₃ and related corundum Mn₂BB′O₆ derivatives is discussed.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1526044

Journal Information:: Journal of Materials Chemistry C, Journal Name: Journal of Materials Chemistry C Journal Issue: 3 Vol. 7; ISSN JMCCCX; ISSN 2050-7526

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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