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

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

doi:10.1021/acs.chemmater.1c02046

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

Journal Article · 24 August 2021 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c02046· OSTI ID:1870431

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

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 degrees 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 Mn22+Mn3+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.

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

Sponsoring Organization:: National Research Foundation of Korea (NRF); Korea Atomic Energy Research Institute (KAERI); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1870431

Journal Information:: Chemistry of Materials, Vol. 33, Issue 16

Country of Publication:: United States

Language:: English

References (42)

Advances in magnetoelectric multiferroics Spaldin, N. A.; Ramesh, R. Nature Materials, Vol. 18, Issue 3 https://doi.org/10.1038/s41563-018-0275-2	journal	February 2019
The evolution of multiferroics Fiebig, Manfred; Lottermoser, Thomas; Meier, Dennis Nature Reviews Materials, Vol. 1, Issue 8 https://doi.org/10.1038/natrevmats.2016.46	journal	July 2016
Multiferroics: a magnetic twist for ferroelectricity Cheong, Sang-Wook; Mostovoy, Maxim Nature Materials, Vol. 6, Issue 1 https://doi.org/10.1038/nmat1804	journal	January 2007
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
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
Complex magnetism and magnetic-field-driven electrical polarization of Co 3 Te O 6 Hudl, M.; Mathieu, R.; Ivanov, S. A. Physical Review B, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevB.84.180404	journal	November 2011
Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in Ni 3 TeO 6 Kim, Jae Wook; Artyukhin, S.; Mun, E. D. Physical Review Letters, Vol. 115, Issue 13 https://doi.org/10.1103/PhysRevLett.115.137201	journal	September 2015
Interplay between the magnetic and electric degrees of freedom in multiferroic Co 3 TeO 6 Li, Wen-Hsien; Wang, Chin-Wei; Hsu, Daniel Physical Review B, Vol. 85, Issue 9 https://doi.org/10.1103/PhysRevB.85.094431	journal	March 2012
Magnetoelectric excitations in multiferroic N i 3 Te O 6 Skiadopoulou, Stella; Borodavka, Fedir; Kadlec, Christelle Physical Review B, Vol. 95, Issue 18 https://doi.org/10.1103/PhysRevB.95.184435	journal	May 2017
First-order multi- k phase transitions and magnetoelectric effects in multiferroic Co 3 TeO 6 Tolédano, Pierre; Carolus, Vera; Hudl, Matthias Physical Review B, Vol. 85, Issue 21 https://doi.org/10.1103/PhysRevB.85.214439	journal	June 2012
Magnetoelectric Coupling through the Spin Flop Transition in Ni 3 TeO 6 Yokosuk, M. O.; al-Wahish, Amal; Artyukhin, Sergey Physical Review Letters, Vol. 117, Issue 14 https://doi.org/10.1103/PhysRevLett.117.147402	journal	September 2016
Tracking the continuous spin-flop transition in Ni 3 TeO 6 by infrared spectroscopy Yokosuk, Michael O.; Artyukhin, Sergey; al-Wahish, Amal Physical Review B, Vol. 92, Issue 14 https://doi.org/10.1103/PhysRevB.92.144305	journal	October 2015
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
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
High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn ₂ ScSbO ₆ Solana-Madruga, E.; Dos santos-García, A. J.; Arévalo-López, A. M. Dalton Transactions, Vol. 44, Issue 47 https://doi.org/10.1039/c5dt03445k	journal	January 2015
Spin and Dipole Ordering in Ni ₂ InSbO ₆ and Ni ₂ ScSbO ₆ with Corundum-Related Structure Ivanov, S. A.; Mathieu, R.; Nordblad, P. Chemistry of Materials, Vol. 25, Issue 6 https://doi.org/10.1021/cm304095s	journal	March 2013
Magnetic order near 270 K in mineral and synthetic Mn2FeSbO6 ilmenite Mathieu, R.; Ivanov, S. A.; Bazuev, G. V. Applied Physics Letters, Vol. 98, Issue 20 https://doi.org/10.1063/1.3593194	journal	May 2011
High-Pressure Synthesis and Ferrimagnetism of Ni ₃ TeO ₆ -Type Mn ₂ ScMO ₆ (M = Nb, Ta) Feng, Hai L.; Deng, Zheng; Croft, Mark Inorganic Chemistry, Vol. 58, Issue 23 https://doi.org/10.1021/acs.inorgchem.9b02468	journal	November 2019
Mn ₃ TeO ₆ - a new multiferroic material with two magnetic substructures Zhao, Li; Hu, Zhiwei; Kuo, Chang-Yang physica status solidi (RRL) - Rapid Research Letters, Vol. 9, Issue 12 https://doi.org/10.1002/pssr.201510347	journal	October 2015
Neutron-diffraction study of the Jahn-Teller transition in stoichiometric LaMnO 3 Rodríguez-Carvajal, J.; Hennion, M.; Moussa, F. Physical Review B, Vol. 57, Issue 6 https://doi.org/10.1103/PhysRevB.57.R3189	journal	February 1998
Resonant X-Ray Scattering from Orbital Ordering in LaMnO 3 Murakami, Y.; Hill, J. P.; Gibbs, D. Physical Review Letters, Vol. 81, Issue 3 https://doi.org/10.1103/PhysRevLett.81.582	journal	July 1998
Crucial Role of the Lattice Distortion in the Magnetism of LaMnO 3 Solovyev, Igor; Hamada, Noriaki; Terakura, Kiyoyuki Physical Review Letters, Vol. 76, Issue 25 https://doi.org/10.1103/PhysRevLett.76.4825	journal	June 1996
Interplay between orbital ordering and lattice distortions in LaMnO 3 , YVO 3 , and YTiO 3 Mizokawa, T.; Khomskii, D. I.; Sawatzky, G. A. Physical Review B, Vol. 60, Issue 10 https://doi.org/10.1103/PhysRevB.60.7309	journal	September 1999
Room-temperature ferrimagnetism of anti-site-disordered C a 2 MnOs O 6 Feng, Hai L.; Ghimire, Madhav Prasad; Hu, Zhiwei Physical Review Materials, Vol. 3, Issue 12 https://doi.org/10.1103/PhysRevMaterials.3.124404	journal	December 2019
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
Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO ₄ (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity Sen Gupta, Arnab; Akamatsu, Hirofumi; Brown, Forrest G. Chemistry of Materials, Vol. 29, Issue 2 https://doi.org/10.1021/acs.chemmater.6b04103	journal	December 2016
Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, Li R TiO ₄ ( R = Rare Earths) Gupta, Arnab Sen; Akamatsu, Hirofumi; Strayer, Megan E. Advanced Electronic Materials, Vol. 2, Issue 1 https://doi.org/10.1002/aelm.201500196	journal	December 2015
Relaxor Ferroelectric Behavior in Barium Strontium Titanate Garten, Lauren M.; Burch, Matthew; Gupta, Arnab Sen Journal of the American Ceramic Society, Vol. 99, Issue 5 https://doi.org/10.1111/jace.14109	journal	February 2016
Emergent Noncentrosymmetry and Piezoelectricity Driven by Oxygen Octahedral Rotations in n = 2 Dion-Jacobson Phase Layer Perovskites Strayer, Megan E.; Gupta, Arnab Sen; Akamatsu, Hirofumi Advanced Functional Materials, Vol. 26, Issue 12 https://doi.org/10.1002/adfm.201504046	journal	February 2016
A Rietveld-Analysis Programm RIETAN-98 and its Applications to Zeolites Izumi, Fujio; Ikeda, T. Materials Science Forum, Vol. 321-324 https://doi.org/10.4028/www.scientific.net/MSF.321-324.198	journal	January 2000
Three-Dimensional Visualization in Powder Diffraction Izumi, Fujio; Momma, Koichi Solid State Phenomena, Vol. 130 https://doi.org/10.4028/www.scientific.net/SSP.130.15	journal	December 2007
Systematic Mn d-configuration change in the La 1 − x Ca x MnO 3 system: A Mn K-edge XAS study Croft, M.; Sills, D.; Greenblatt, M. Physical Review B, Vol. 55, Issue 14 https://doi.org/10.1103/PHYSREVB.55.8726	journal	April 1997
Synthesis, Structure, and Magnetic Properties of SrLaMnSbO ₆ : A New B -Site Ordered Double Perovskite Mandal, Tapas Kumar; Abakumov, Artem M.; Lobanov, Maxim V. Chemistry of Materials, Vol. 20, Issue 14 https://doi.org/10.1021/cm800583e	journal	July 2008
La2MnVO6 double perovskite: a structural, magnetic and X-ray absorption investigation Mandal, Tapas Kumar; Croft, Mark; Hadermann, Joke Journal of Materials Chemistry, Vol. 19, Issue 25 https://doi.org/10.1039/B823513A	journal	January 2009
Evolution of structure and magnetic properties in electron-doped double perovskites, Sr2−La MnWO6 (0⩽x⩽1) Lin, Qisheng; Greenblatt, Martha; Croft, Mark Journal of Solid State Chemistry, Vol. 178, Issue 5 https://doi.org/10.1016/j.jssc.2004.12.031	journal	May 2005
WIEN2k: An APW+lo program for calculating the properties of solids Blaha, Peter; Schwarz, Karlheinz; Tran, Fabien The Journal of Chemical Physics, Vol. 152, Issue 7 https://doi.org/10.1063/1.5143061	journal	February 2020
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
Density-functional theory and NiO photoemission spectra Anisimov, V. I.; Solovyev, I. V.; Korotin, M. A. Physical Review B, Vol. 48, Issue 23 https://doi.org/10.1103/PhysRevB.48.16929	journal	December 1993
Ni ₃ TeO ₆ —a collinear antiferromagnet with ferromagnetic honeycomb planes Živković, I.; Prša, K.; Zaharko, O. Journal of Physics: Condensed Matter, Vol. 22, Issue 5 https://doi.org/10.1088/0953-8984/22/5/056002	journal	January 2010
Vibrational properties of MnO and NiO from DFT + U -based density functional perturbation theory Floris, A.; de Gironcoli, S.; Gross, E. K. U. Physical Review B, Vol. 84, Issue 16 https://doi.org/10.1103/PhysRevB.84.161102	journal	October 2011
The role of nonmagnetic d0 vs. d10 B-type cations on the magnetic exchange interactions in osmium double perovskites Feng, Hai L.; Yamaura, Kazunari; Tjeng, Liu Hao Journal of Solid State Chemistry, Vol. 243 https://doi.org/10.1016/j.jssc.2016.08.022	journal	November 2016
Active role of nonmagnetic cations in magnetic interactions for double-perovskite S r 2 B Os O 6 ( B = Y , In , Sc ) Kanungo, Sudipta; Yan, Binghai; Felser, Claudia Physical Review B, Vol. 93, Issue 16 https://doi.org/10.1103/PhysRevB.93.161116	journal	April 2016

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