MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor

Xiaoyan Tan, Emma E. McCabe, Fabio Orlandi, Pascal Manuel, Maria Batuk, Joke Hadermann, Zheng Deng, Changqing Jin, Israel Nowik, Rolfe Herber, Carlo U. Segre, Sizhan Liu, Mark Croft, Chang Jong Kang, Saul Lapidus, Corey E. Frank, Haricharan Padmanabhan, Venkatraman Gopalan, Meixia Wu, Man Rong LiGabriel Kotliar, David Walker, Martha Greenblatt

Research output: Contribution to journalArticle

Abstract

A transition-metal-only MnFe 0.5 Ru 0.5 O 3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO 2 , Fe 2 O 3 , RuO 2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe 0.5 Ru 0.5 O 3 adopts the corundum (α-Fe 2 O 3 ) structure type with space group R3c, in which all metal ions are disordered. The centrosymmetric nature of the MnFe 0.5 Ru 0.5 O 3 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 0.5 Ru 0.5 O 3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe 0.5 Ru 0.5 O 3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe 0.5 Ru 0.5 O 3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. 57 Fe Mössbauer confirmed the magnetic ordering and Fe 3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe 0.5 Ru 0.5 O 3 and related corundum Mn 2 BB′O 6 derivatives is discussed.

Original languageEnglish (US)
Pages (from-to)509-522
Number of pages14
JournalJournal of Materials Chemistry C
Volume7
Issue number3
DOIs
StatePublished - Jan 1 2019

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Corundum
Aluminum Oxide
X ray absorption
Spectroscopy
Semiconductor materials
Neutron powder diffraction
Magnetic structure
Magnetic variables measurement
Harmonic generation
Magnetic moments
X ray powder diffraction
Temperature
Oxides
Electronic structure
Transition metals
Metal ions
Magnetization
Transmission electron microscopy
Derivatives
Oxidation

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Chemistry

Cite this

Tan, X., McCabe, E. E., Orlandi, F., Manuel, P., Batuk, M., Hadermann, J., ... Greenblatt, M. (2019). MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor. Journal of Materials Chemistry C, 7(3), 509-522. https://doi.org/10.1039/c8tc05059g
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. / MnFe 0.5 Ru 0.5 O 3 : An above-room-temperature antiferromagnetic semiconductor. In: Journal of Materials Chemistry C. 2019 ; Vol. 7, No. 3. pp. 509-522.
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abstract = "A transition-metal-only MnFe 0.5 Ru 0.5 O 3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO 2 , Fe 2 O 3 , RuO 2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe 0.5 Ru 0.5 O 3 adopts the corundum (α-Fe 2 O 3 ) structure type with space group R3c, in which all metal ions are disordered. The centrosymmetric nature of the MnFe 0.5 Ru 0.5 O 3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and M{\"o}ssbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe 0.5 Ru 0.5 O 3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe 0.5 Ru 0.5 O 3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe 0.5 Ru 0.5 O 3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. 57 Fe M{\"o}ssbauer confirmed the magnetic ordering and Fe 3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe 0.5 Ru 0.5 O 3 and related corundum Mn 2 BB′O 6 derivatives is discussed.",
author = "Xiaoyan Tan and McCabe, {Emma E.} and Fabio Orlandi and Pascal Manuel and Maria Batuk and Joke Hadermann and Zheng Deng and Changqing Jin and Israel Nowik and Rolfe Herber and Segre, {Carlo U.} and Sizhan Liu and Mark Croft and Kang, {Chang Jong} and Saul Lapidus and Frank, {Corey E.} and Haricharan Padmanabhan and Venkatraman Gopalan and Meixia Wu and Li, {Man Rong} and Gabriel Kotliar and David Walker and Martha Greenblatt",
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Tan, X, McCabe, EE, Orlandi, F, Manuel, P, Batuk, M, Hadermann, J, Deng, Z, Jin, C, Nowik, I, Herber, R, Segre, CU, Liu, S, Croft, M, Kang, CJ, Lapidus, S, Frank, CE, Padmanabhan, H, Gopalan, V, Wu, M, Li, MR, Kotliar, G, Walker, D & Greenblatt, M 2019, 'MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor', Journal of Materials Chemistry C, vol. 7, no. 3, pp. 509-522. https://doi.org/10.1039/c8tc05059g

MnFe 0.5 Ru 0.5 O 3 : 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.

In: Journal of Materials Chemistry C, Vol. 7, No. 3, 01.01.2019, p. 509-522.

Research output: Contribution to journalArticle

TY - JOUR

T1 - MnFe 0.5 Ru 0.5 O 3

T2 - An above-room-temperature antiferromagnetic semiconductor

AU - Tan, Xiaoyan

AU - McCabe, Emma E.

AU - Orlandi, Fabio

AU - Manuel, Pascal

AU - Batuk, Maria

AU - Hadermann, Joke

AU - Deng, Zheng

AU - Jin, Changqing

AU - Nowik, Israel

AU - Herber, Rolfe

AU - Segre, Carlo U.

AU - Liu, Sizhan

AU - Croft, Mark

AU - Kang, Chang Jong

AU - Lapidus, Saul

AU - Frank, Corey E.

AU - Padmanabhan, Haricharan

AU - Gopalan, Venkatraman

AU - Wu, Meixia

AU - Li, Man Rong

AU - Kotliar, Gabriel

AU - Walker, David

AU - Greenblatt, Martha

PY - 2019/1/1

Y1 - 2019/1/1

N2 - A transition-metal-only MnFe 0.5 Ru 0.5 O 3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO 2 , Fe 2 O 3 , RuO 2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe 0.5 Ru 0.5 O 3 adopts the corundum (α-Fe 2 O 3 ) structure type with space group R3c, in which all metal ions are disordered. The centrosymmetric nature of the MnFe 0.5 Ru 0.5 O 3 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 0.5 Ru 0.5 O 3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe 0.5 Ru 0.5 O 3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe 0.5 Ru 0.5 O 3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. 57 Fe Mössbauer confirmed the magnetic ordering and Fe 3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe 0.5 Ru 0.5 O 3 and related corundum Mn 2 BB′O 6 derivatives is discussed.

AB - A transition-metal-only MnFe 0.5 Ru 0.5 O 3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO 2 , Fe 2 O 3 , RuO 2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe 0.5 Ru 0.5 O 3 adopts the corundum (α-Fe 2 O 3 ) structure type with space group R3c, in which all metal ions are disordered. The centrosymmetric nature of the MnFe 0.5 Ru 0.5 O 3 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 0.5 Ru 0.5 O 3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and ∼4+, respectively. Resistivity measurements revealed that MnFe 0.5 Ru 0.5 O 3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe 0.5 Ru 0.5 O 3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. 57 Fe Mössbauer confirmed the magnetic ordering and Fe 3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe 0.5 Ru 0.5 O 3 and related corundum Mn 2 BB′O 6 derivatives is discussed.

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Tan X, McCabe EE, Orlandi F, Manuel P, Batuk M, Hadermann J et al. MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor. Journal of Materials Chemistry C. 2019 Jan 1;7(3):509-522. https://doi.org/10.1039/c8tc05059g