journal article·2021-08-24Open access

A Polar Magnetic and Insulating Double Corundum Oxide: Mn2MnSbO6 with Ordered Mn(II) and Mn(III) Ions

Hai L. Feng, Chang-Jong Kang, Bongjae Kim, Kyoo Kim, Mark Croft, Sizhan Liu, Trevor A. Tyson, Eli Stavitski, Rui Zu, Venkatraman Gopalan, Saul H. Lapidus, Corey E. Frank, Youguo Shi, David Walker, Martha Greenblatt

Chemistry of Materials· Volume 33· Issue 16

Abstract

A new magnetic insulator Mn2MnSbO6 with a polar crystal structure and an ordered Mn2+ and Mn3+ arrangement was synthesized under a high pressure of 7.5 GPa and 1300 °C. The crystal structure of Mn2MnSbO6, investigated by synchrotron powder X-ray diffraction, was found to be isomorphous with that of Ni3TeO6-type, space group R3. The non-centrosymmetric structure was confirmed by the second-harmonic generation measurements. The X-ray absorption near-edge spectroscopy measurement confirmed the nominal oxidation states of Mn2+2Mn3+SbO6. Magnetic measurements indicate that Mn2MnSbO6 orders antiferromagnetically below 44 K and undergoes a field-induced spin-flop transition at 5 K. First-principles calculations indicate an antiferromagnetic ground state with up/up/up/down/down/down (uuuddd) spin configuration of the six crystallographically unique Mn ions in the c-axis doubled magnetic structure. The density functional theory calculations also substantiate the experimentally observed charge ordering of the Mn2+/Mn3+ ions and the insulating behavior due to a bandgap of 0.52 eV. To the best of our knowledge, this is the first double corundum oxide containing Jahn–Teller active Mn3+ ions.
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Research context

OpenAlex topics: Multiferroics and related materials · Advanced Condensed Matter Physics · Magnetic and transport properties of perovskites and related materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States

Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

Department of Physics, Chungnam National University, Daejeon 34134, South Korea

Department of Physics, Kunsan National University, Gunsan 54150, South Korea

Korea Atomic Energy Research Institute (KAERI), 111 Daedeok-daero, Daejeon 34057, South Korea

Department of Physics and Astronomy, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States

Department of Physics, New Jersey Institute of Technology, Newark, New Jersey 07102, United States

National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, New York 11973, United States

Department of Materials Science and Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802, United States

Department of Engineering Science and Mechanics, Pennsylvania State University, University Park, Pennsylvania 16802, United States

Advanced Photon Source, Argonne National Laboratory, Lemont, Illinois 60439, United States

Lamont Doherty Earth Observatory, Columbia University, Palisades, New York 10964, United States

Funding

U.S. Department of Energy · Korea Atomic Energy Research Institute · Division of Materials Research

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