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

Abstract

A transition-metal-only MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 and related corundum Mn2BB′O6 derivatives is discussed.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [3];  [4]; ORCiD logo [4];  [5];  [5];  [6]; ORCiD logo [6]; ORCiD logo [7];  [8];  [1]; ORCiD logo [1];  [9]; ORCiD logo [1];  [10];  [10];  [11]; ORCiD logo [11] more »;  [1];  [12]; ORCiD logo [1] « less
+ Show Author Affiliations
  1. Rutgers Univ., Piscataway, NJ (United States)
  2. Univ. of Kent, Kent (United Kingdom)
  3. Rutherford Appleton Lab, Didcot (United Kingdom)
  4. Univ. of Antwerp, Antwerp (Belgium)
  5. Univ. of Chinese Sciences, Beijing (People's Republic of China)
  6. The Hebrew Univ., Jerusalem (Israel)
  7. Illinois Institute of Technology, Chicago, IL (United States)
  8. New Jersey Institute of Technology, Newark, NJ (United States)
  9. Argonne National Lab. (ANL), Argonne, IL (United States)
  10. Pennsylvania State Univ., University Park, PA (United States)
  11. Sun Yat-Sen Univ., Guangzhou (People's Republic of China)
  12. Columbia Univ., Palisades, NY (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1526044
Alternate Identifier(s):
OSTI ID: 1484547
Grant/Contract Number:  
AC02-06CH11357; FOA-0001276
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry C
Additional Journal Information:
Journal Volume: 7; Journal Issue: 3; Journal ID: ISSN 2050-7526
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

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, and Greenblatt, Martha. MnFe0.5Ru0.5O3: an above-room-temperature antiferromagnetic semiconductor. United States: N. p., 2018. Web. doi:10.1039/c8tc05059g.
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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. MnFe0.5Ru0.5O3: an above-room-temperature antiferromagnetic semiconductor. United States. https://doi.org/10.1039/c8tc05059g
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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, and Greenblatt, Martha. Tue . "MnFe0.5Ru0.5O3: an above-room-temperature antiferromagnetic semiconductor". United States. https://doi.org/10.1039/c8tc05059g. https://www.osti.gov/servlets/purl/1526044.
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@article{osti_1526044,
title = {MnFe0.5Ru0.5O3: an above-room-temperature antiferromagnetic semiconductor},
author = {Tan, Xiaoyan and McCabe, Emma E. and Orlandi, Fabio and Manuel, Pascal and Batuk, Maria and Hadermann, Joke and Deng, Zheng and Jin, Changqing and Nowik, Israel and Herber, Rolfe and Segre, Carlo U. and Liu, Sizhan and Croft, Mark and Kang, Chang -Jong and Lapidus, Saul and Frank, Corey E. and Padmanabhan, Haricharan and Gopalan, Venkatraman and Wu, Meixia and Li, Man -Rong and Kotliar, Gabriel and Walker, David and Greenblatt, Martha},
abstractNote = {A transition-metal-only MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 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 MnFe0.5Ru0.5O3 and related corundum Mn2BB′O6 derivatives is discussed.},
doi = {10.1039/c8tc05059g},
journal = {Journal of Materials Chemistry C},
number = 3,
volume = 7,
place = {United States},
year = {Tue Nov 27 00:00:00 EST 2018},
month = {Tue Nov 27 00:00:00 EST 2018}
}
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