A Polar Magnetic and Insulating Double Corundum Oxide: Mn2MnSbO6with Ordered Mn(II) and Mn(III) Ions

Document Type

Article

Publication Date

8-24-2021

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.

Identifier

85113921674 (Scopus)

Publication Title

Chemistry of Materials

External Full Text Location

https://doi.org/10.1021/acs.chemmater.1c02046

e-ISSN

15205002

ISSN

08974756

First Page

6522

Last Page

6529

Issue

16

Volume

33

Grant

DMR-2011839

Fund Ref

U.S. Department of Energy

This document is currently not available here.

Share

COinS