TY - JOUR
T1 - MnFe 0.5 Ru 0.5 O 3
T2 - An above-room-temperature antiferromagnetic semiconductor
AU - Tan, Xiaoyan
AU - McCabe, Emma E.
AU - Orlandi, Fabio
AU - Manuel, Pascal
AU - Batuk, Maria
AU - Hadermann, Joke
AU - Deng, Zheng
AU - Jin, Changqing
AU - Nowik, Israel
AU - Herber, Rolfe
AU - Segre, Carlo U.
AU - Liu, Sizhan
AU - Croft, Mark
AU - Kang, Chang Jong
AU - Lapidus, Saul
AU - Frank, Corey E.
AU - Padmanabhan, Haricharan
AU - Gopalan, Venkatraman
AU - Wu, Meixia
AU - Li, Man Rong
AU - Kotliar, Gabriel
AU - Walker, David
AU - Greenblatt, Martha
N1 - Funding Information:
M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the ‘‘Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy’’ under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ‘‘One Thousand Youth Talents’’ Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source.
Publisher Copyright:
© 2019 The Royal Society of Chemistry.
PY - 2019
Y1 - 2019
N2 - 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.
AB - 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.
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U2 - 10.1039/c8tc05059g
DO - 10.1039/c8tc05059g
M3 - Article
AN - SCOPUS:85060169463
VL - 7
SP - 509
EP - 522
JO - Journal of Materials Chemistry C
JF - Journal of Materials Chemistry C
SN - 2050-7526
IS - 3
ER -