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 · Tue Nov 27 00:00:00 EST 2018 · Journal of Materials Chemistry C

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

^[1];

^[2];

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

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

^[6];

^[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.

View Accepted Manuscript (DOE)

Cite

Export

Save

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

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

Grant/Contract Number:: AC02-06CH11357; FOA-0001276

OSTI ID:: 1526044

Alternate ID(s):: OSTI ID: 1484547

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

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 3 works

Citation information provided by
Web of Science

References (65)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Mn ₂ MnReO ₆ : Synthesis and Magnetic Structure Determination of a New Transition-Metal-Only Double Perovskite Canted Antiferromagnet Li, Man-Rong; Hodges, Jason P.; Retuerto, Maria Chemistry of Materials, Vol. 28, Issue 9 https://doi.org/10.1021/acs.chemmater.6b00755	journal	April 2016
An alternating alternative Duine, Rembert Nature Materials, Vol. 10, Issue 5 https://doi.org/10.1038/nmat3015	journal	April 2011
The multiple directions of antiferromagnetic spintronics Jungwirth, T.; Sinova, J.; Manchon, A. Nature Physics, Vol. 14, Issue 3 https://doi.org/10.1038/s41567-018-0063-6	journal	March 2018
Multiplet effects in X-ray spectroscopy Groot, Frank de Coordination Chemistry Reviews, Vol. 249, Issue 1-2 https://doi.org/10.1016/j.ccr.2004.03.018	journal	January 2005
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Multiple-stable anisotropic magnetoresistance memory in antiferromagnetic MnTe Kriegner, D.; Výborný, K.; Olejník, K. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11623	journal	June 2016
Magnetic and Structural Studies of the Multifunctional Material SrFe _0.75 Mo _0.25 O _3−δ Retuerto, M.; Li, M. -R.; Go, Y. B. Inorganic Chemistry, Vol. 51, Issue 22 https://doi.org/10.1021/ic301550m	journal	October 2012
Darstellung und Kristallstruktur der Verbindungen MnCuX (X = P, As, PxAs1-x) / Preparation and Crystal Structure of Compounds MnCuX (X = P, As, PxAs1-x) Mündelein, Joachim; Schuster, Hans-Uwe Zeitschrift für Naturforschung B, Vol. 47, Issue 7 https://doi.org/10.1515/znb-1992-0705	journal	July 1992
Non-hysteretic colossal magnetoelectricity in a collinear antiferromagnet Oh, Yoon Seok; Artyukhin, Sergey; Yang, Jun Jie Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4201	journal	January 2014
Magnetostriction-polarization coupling in multiferroic Mn2MnWO6 Li, Man-Rong; McCabe, Emma E.; Stephens, Peter W. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-02003-3	journal	December 2017
Mn ₂ FeWO ₆ : A New Ni ₃ TeO ₆ -Type Polar and Magnetic Oxide Li, Man-Rong; Croft, Mark; Stephens, Peter W. Advanced Materials, Vol. 27, Issue 13 https://doi.org/10.1002/adma.201405244	journal	February 2015
Antiferromagnetic opto-spintronics Němec, P.; Fiebig, M.; Kampfrath, T. Nature Physics, Vol. 14, Issue 3 https://doi.org/10.1038/s41567-018-0051-x	journal	March 2018
Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites Bellaiche, L.; Vanderbilt, David Physical Review B, Vol. 61, Issue 12 https://doi.org/10.1103/PhysRevB.61.7877	journal	March 2000
Mn ₂ (Fe _0.8 Mo _0.2 )MoO ₆ : A Double Perovskite with Multiple Transition Metal Sublattice Magnetic Effects Li, Man-Rong; Stephens, Peter W.; Croft, Mark Chemistry of Materials, Vol. 30, Issue 14 https://doi.org/10.1021/acs.chemmater.8b00250	journal	June 2018
Electrical switching of an antiferromagnet Wadley, P.; Howells, B.; elezny, J. Science, Vol. 351, Issue 6273 https://doi.org/10.1126/science.aab1031	journal	January 2016
Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4 Kim, B. J.; Ohsumi, H.; Komesu, T. Science, Vol. 323, Issue 5919 https://doi.org/10.1126/science.1167106	journal	March 2009
Polar Magnets in Double Corundum Oxides Cai, Guo-Hong; Greenblatt, Martha; Li, Man-Rong Chemistry of Materials, Vol. 29, Issue 13 https://doi.org/10.1021/acs.chemmater.7b01567	journal	June 2017
Addressing an antiferromagnetic memory Marrows, C. Science, Vol. 351, Issue 6273 https://doi.org/10.1126/science.aad8211	journal	February 2016
Large Magnetoelectric Coupling Near Room Temperature in Synthetic Melanostibite Mn ₂ FeSbO ₆ Dos santos-García, Antonio J.; Solana-Madruga, Elena; Ritter, Clemens Angewandte Chemie International Edition, Vol. 56, Issue 16 https://doi.org/10.1002/anie.201609762	journal	March 2017
Structural change and phase coexistence upon magnetic ordering in the magnetodielectric spinel ${Mn}_{3} O_{4}$ Kemei, Moureen C.; Harada, Jaye K.; Seshadri, Ram Physical Review B, Vol. 90, Issue 6 https://doi.org/10.1103/PhysRevB.90.064418	journal	August 2014
Structural and magnetic transitions in spinel $FeM n_{2} O_{4}$ single crystals Nepal, Roshan; Zhang, Qiang; Dai, Samuel Physical Review B, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevB.97.024410	journal	January 2018
Spin-orbit coupling induced anisotropy effects in bimetallic antiferromagnets: A route towards antiferromagnetic spintronics Shick, A. B.; Khmelevskyi, S.; Mryasov, O. N. Physical Review B, Vol. 81, Issue 21 https://doi.org/10.1103/PhysRevB.81.212409	journal	June 2010
ISODISPLACE : a web-based tool for exploring structural distortions Campbell, Branton J.; Stokes, Harold T.; Tanner, David E. Journal of Applied Crystallography, Vol. 39, Issue 4 https://doi.org/10.1107/S0021889806014075	journal	July 2006
Solid-Phase Epitaxial Growth of A-Site-Ordered Perovskite Sr _{4− x} Er _x Co ₄ O _{12− δ} : A Room Temperature Ferrimagnetic p-Type Semiconductor Katase, Takayoshi; Takahashi, Hidefumi; Tohei, Tetsuya Advanced Electronic Materials, Vol. 1, Issue 12 https://doi.org/10.1002/aelm.201500199	journal	October 2015
Magnetic-Structure-Stabilized Polarization in an Above-Room-Temperature Ferrimagnet Li, Man-Rong; Retuerto, Maria; Walker, David Angewandte Chemie International Edition, Vol. 53, Issue 40 https://doi.org/10.1002/anie.201406180	journal	August 2014
Multiplet effects in the Ru $L_{2, 3}$ x-ray-absorption spectra of Ru(IV) and Ru(V) compounds Hu, Z.; von Lips, H.; Golden, M. S. Physical Review B, Vol. 61, Issue 8 https://doi.org/10.1103/PhysRevB.61.5262	journal	February 2000
Magnetocapacitance and Magnetoresistance Near Room Temperature in a Ferromagnetic Semiconductor: La2NiMnO6 Rogado, N. S.; Li, J.; Sleight, A. W. Advanced Materials, Vol. 17, Issue 18 https://doi.org/10.1002/adma.200500737	journal	September 2005
Probing Ferroelectrics Using Optical Second Harmonic Generation Denev, Sava A.; Lummen, Tom T. A.; Barnes, Eftihia Journal of the American Ceramic Society, Vol. 94, Issue 9 https://doi.org/10.1111/j.1551-2916.2011.04740.x	journal	August 2011
The emergence of spin electronics in data storage Chappert, Claude; Fert, Albert; Van Dau, Frédéric Nguyen Nature Materials, Vol. 6, Issue 11 https://doi.org/10.1038/nmat2024	journal	November 2007
${Sr}_{2} Cr Os O_{6}$ : End point of a spin-polarized metal-insulator transition by $5 d$ band filling Krockenberger, Y.; Mogare, K.; Reehuis, M. Physical Review B, Vol. 75, Issue 2 https://doi.org/10.1103/PhysRevB.75.020404	journal	January 2007
A spin-valve-like magnetoresistance of an antiferromagnet-based tunnel junction Park, B. G.; Wunderlich, J.; Martí, X. Nature Materials, Vol. 10, Issue 5 https://doi.org/10.1038/nmat2983	journal	March 2011
Antiferromagnetic spintronics Baltz, V.; Manchon, A.; Tsoi, M. Reviews of Modern Physics, Vol. 90, Issue 1 https://doi.org/10.1103/RevModPhys.90.015005	journal	February 2018
Room-temperature ferromagnetism in ${Sr}_{1 - x} Y_{x} Co O_{3 - δ}$ $(0.2 ⩽ x ⩽ 0.25)$ Kobayashi, W.; Ishiwata, S.; Terasaki, I. Physical Review B, Vol. 72, Issue 10 https://doi.org/10.1103/PhysRevB.72.104408	journal	September 2005
Spintronics: A Spin-Based Electronics Vision for the Future Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A. Science, Vol. 294, Issue 5546, p. 1488-1495 https://doi.org/10.1126/science.1065389	journal	November 2001
Wish: The New Powder and Single Crystal Magnetic Diffractometer on the Second Target Station Chapon, Laurent C.; Manuel, Pascal; Radaelli, Paolo G. Neutron News, Vol. 22, Issue 2 https://doi.org/10.1080/10448632.2011.569650	journal	April 2011
Crystal Structure and Properties of Ru-Stoichiometric LaSrMnRuO ₆ Bune, Rey O.; Lobanov, Maxim V.; Popov, Guerman Chemistry of Materials, Vol. 18, Issue 10 https://doi.org/10.1021/cm052371q	journal	May 2006
Spintronics: A Challenge for Materials Science and Solid-State Chemistry Felser, Claudia; Fecher, Gerhard H.; Balke, Benjamin Angewandte Chemie International Edition, Vol. 46, Issue 5 https://doi.org/10.1002/anie.200601815	journal	January 2007
Polar and Magnetic Mn ₂ FeMO ₆ (M=Nb, Ta) with LiNbO ₃ -type Structure: High-Pressure Synthesis Li, Man-Rong; Walker, David; Retuerto, Maria Angewandte Chemie International Edition, Vol. 52, Issue 32 https://doi.org/10.1002/anie.201302775	journal	June 2013
Colossal magnetoresistance in Cr-based chalcogenide spinels Ramirez, A. P.; Cava, R. J.; Krajewski, J. Nature, Vol. 386, Issue 6621 https://doi.org/10.1038/386156a0	journal	March 1997
Anisotropic magnetoresistance in an antiferromagnetic semiconductor Fina, I.; Marti, X.; Yi, D. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5671	journal	September 2014
Synthesis and Characterization of Sr ₃ FeMoO _6.88 : An Oxygen-Deficient 2D Analogue of the Double Perovskite Sr ₂ FeMoO ₆ Veith, Gabriel M.; Greenblatt, Martha; Croft, Mark Chemistry of Materials, Vol. 17, Issue 10 https://doi.org/10.1021/cm048839r	journal	May 2005
Room-temperature antiferromagnetic memory resistor Marti, X.; Fina, I.; Frontera, C. Nature Materials, Vol. 13, Issue 4 https://doi.org/10.1038/nmat3861	journal	January 2014
Synthetic antiferromagnetic spintronics Duine, R. A.; Lee, Kyung-Jin; Parkin, Stuart S. P. Nature Physics, Vol. 14, Issue 3 https://doi.org/10.1038/s41567-018-0050-y	journal	March 2018
Oxygen stoichiometry, ferromagnetism, and transport properties of ${La}_{2 - x} {NiMnO}_{6 + δ}$ Dass, R. I.; Yan, J. -Q.; Goodenough, J. B. Physical Review B, Vol. 68, Issue 6 https://doi.org/10.1103/PhysRevB.68.064415	journal	August 2003
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Vanderbilt, David Physical Review B, Vol. 41, Issue 11, p. 7892-7895 https://doi.org/10.1103/PhysRevB.41.7892	journal	April 1990
Differences between L ₃ and L ₂ x‐ray absorption spectra of transition metal compounds de Groot, F. M. F.; Hu, Z. W.; Lopez, M. F. The Journal of Chemical Physics, Vol. 101, Issue 8 https://doi.org/10.1063/1.468351	journal	October 1994
Antiferromagnetic spintronics Jungwirth, T.; Marti, X.; Wadley, P. Nature Nanotechnology, Vol. 11, Issue 3 https://doi.org/10.1038/nnano.2016.18	journal	March 2016
Large resistivity change and phase transition in the antiferromagnetic semiconductors LiMnAs and LaOMnAs Beleanu, A.; Kiss, J.; Kreiner, G. Physical Review B, Vol. 88, Issue 18 https://doi.org/10.1103/PhysRevB.88.184429	journal	November 2013
Indexing of powder diffraction patterns by iterative use of singular value decomposition Coelho, A. A. Journal of Applied Crystallography, Vol. 36, Issue 1 https://doi.org/10.1107/S0021889802019878	journal	January 2003
Concepts of antiferromagnetic spintronics Gomonay, O.; Jungwirth, T.; Sinova, J. physica status solidi (RRL) - Rapid Research Letters, Vol. 11, Issue 4 https://doi.org/10.1002/pssr.201700022	journal	February 2017
Tetragonal phase of epitaxial room-temperature antiferromagnet CuMnAs Wadley, P.; Novák, V.; Campion, R. P. Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3322	journal	August 2013
Substitutional Effects of 3d Transition Metals on the Magnetic and Structural Properties of Quasi-Two-Dimensional La5Mo4O16 Ramanujachary, K. V.; Lofland, S. E.; McCarroll, W. H. Journal of Solid State Chemistry, Vol. 164, Issue 1 https://doi.org/10.1006/jssc.2001.9448	journal	February 2002
Giant Magnetoresistance in the Half-Metallic Double-Perovskite Ferrimagnet Mn ₂ FeReO ₆ Li, Man-Rong; Retuerto, Maria; Deng, Zheng Angewandte Chemie International Edition, Vol. 54, Issue 41 https://doi.org/10.1002/anie.201506456	journal	July 2015
Polar and Magnetic Mn ₂ FeMO ₆ (M=Nb, Ta) with LiNbO ₃ -type Structure: High-Pressure Synthesis Li, Man-Rong; Walker, David; Retuerto, Maria Angewandte Chemie, Vol. 125, Issue 32 https://doi.org/10.1002/ange.201302775	journal	June 2013
Magnetic-Structure-Stabilized Polarization in an Above-Room-Temperature Ferrimagnet Li, Man-Rong; Retuerto, Maria; Walker, David Angewandte Chemie, Vol. 126, Issue 40 https://doi.org/10.1002/ange.201406180	journal	August 2014
Giant Magnetoresistance in the Half-Metallic Double-Perovskite Ferrimagnet Mn ₂ FeReO ₆ Li, Man-Rong; Retuerto, Maria; Deng, Zheng Angewandte Chemie, Vol. 127, Issue 41 https://doi.org/10.1002/ange.201506456	journal	July 2015
Large Magnetoelectric Coupling Near Room Temperature in Synthetic Melanostibite Mn ₂ FeSbO ₆ Dos santos-García, Antonio J.; Solana-Madruga, Elena; Ritter, Clemens Angewandte Chemie, Vol. 129, Issue 16 https://doi.org/10.1002/ange.201609762	journal	March 2017
Antiferromagnetic opto-spintronics Němec, P.; Fiebig, M.; Kampfrath, Tobias Freie Universität Berlin https://doi.org/10.17169/refubium-4221	text	January 2018
Synthesis and Characterization of Sr3FeMoO6.88: An Oxygen-Deficient 2D Analogue of the Double Perovskite Sr2FeMoO6. Veith, Gabriel M.; Greenblatt, Martha; Croft, Mark ChemInform, Vol. 36, Issue 32 https://doi.org/10.1002/chin.200532032	journal	August 2005
Magnetocapacitance and Magnetoresistance Near Room Temperature in a Ferromagnetic Semiconductor: La2NiMnO6. Rogado, Nyrissa S.; Li, Jun; Sleight, Arthur W. ChemInform, Vol. 36, Issue 46 https://doi.org/10.1002/chin.200546011	journal	November 2005
Spin-orbit coupling induced anisotropy effects in bimetallic antiferromagnets: A route towards antiferromagnetic spintronics Shick, Alexander B.; Khmelevskyi, Sergii; Mryasov, Oleg N. arXiv https://doi.org/10.48550/arxiv.1002.2151	text	January 2010
Tetragonal phase of epitaxial room-temperature antiferromagnet CuMnAs Wadley, P.; Novák, V.; Campion, R. P. arXiv https://doi.org/10.48550/arxiv.1402.3624	text	January 2014
Multiple-stable anisotropic magnetoresistance memory in antiferromagnetic MnTe Kriegner, D.; Vyborny, K.; Olejnik, K. arXiv https://doi.org/10.48550/arxiv.1508.04877	text	January 2015
Concepts of antiferromagnetic spintronics Gomonay, O.; Jungwirth, T.; Sinova, J. arXiv https://doi.org/10.48550/arxiv.1701.06556	text	January 2017

Similar Records

Crystal and magnetic study of the disordered perovskites Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} and Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3}

Journal Article · Fri Oct 15 00:00:00 EDT 2010 · Materials Research Bulletin · OSTI ID:1526044

Martinez-Lope, M. J.; Garcia-Hernandez, M.; Munoz, A.; +2 more

Effect of Co{sub 2+} substitution in Mg{sub 0.5}Zn{sub 0.5−x}Co{sub x}Fe{sub 2}O{sub 4} ferrite nanoparticles: Study of structural, dielectric and magnetic properties

Journal Article · Thu Apr 24 00:00:00 EDT 2014 · AIP Conference Proceedings · OSTI ID:1526044

Hashim, Mohd; Alimuddin, ; Meena, S. S.; +4 more

Effect of Ce{sup 3+} Ion on Structural and Hyperfine Interaction Studies of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2−x}Ce{sub x}O{sub 4} Ferrites: Useful for Permanent Magnet Applications

Journal Article · Fri Mar 15 00:00:00 EDT 2019 · Journal of Superconductivity and Novel Magnetism · OSTI ID:1526044

Srinivasamurthy, K. M.; Kubrin, S. P.; Matteppanavar, Shiddaling; +2 more

Related Subjects

36 MATERIALS SCIENCE

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

Citation Formats

References (65)

Similar Records

Related Subjects

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