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 Li; Gabriel Kotliar; David Walker; Martha Greenblatt

doi:10.1039/c8tc05059g

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 Li

Gabriel Kotliar, David Walker, Martha Greenblatt

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

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 language	English (US)
Pages (from-to)	509-522
Number of pages	14
Journal	Journal of Materials Chemistry C
Volume	7
Issue number	3
DOIs	https://doi.org/10.1039/c8tc05059g
State	Published - 2019

All Science Journal Classification (ASJC) codes

General Chemistry
Materials Chemistry

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10.1039/c8tc05059g

Cite this

Tan, X., McCabe, E. E., Orlandi, F., Manuel, P., Batuk, M., Hadermann, J., Deng, Z., Jin, C., Nowik, I., Herber, R., Segre, C. U., Liu, S., Croft, M., Kang, C. J., Lapidus, S., Frank, C. E., Padmanabhan, H., Gopalan, V., Wu, M., ... 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

@article{4dd8b3c3321c47c4b509e3c797d2da22,

title = "MnFe 0.5 Ru 0.5 O 3: An above-room-temperature antiferromagnetic semiconductor",

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",

note = "Publisher Copyright: {\textcopyright} 2019 The Royal Society of Chemistry.",

year = "2019",

doi = "10.1039/c8tc05059g",

language = "English (US)",

volume = "7",

pages = "509--522",

journal = "Journal of Materials Chemistry C",

issn = "2050-7534",

publisher = "Royal Society of Chemistry",

number = "3",

}

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 et al.
In: Journal of Materials Chemistry C, Vol. 7, No. 3, 2019, p. 509-522.

Research output: Contribution to journal › Article › peer-review

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

Y1 - 2019

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.

UR - https://www.scopus.com/pages/publications/85060169463

UR - https://www.scopus.com/pages/publications/85060169463#tab=citedBy

U2 - 10.1039/c8tc05059g

DO - 10.1039/c8tc05059g

M3 - Article

AN - SCOPUS:85060169463

SN - 2050-7534

VL - 7

SP - 509

EP - 522

JO - Journal of Materials Chemistry C

JF - Journal of Materials Chemistry C

IS - 3

ER -

MnFe _0.5 Ru _0.5 O ₃: An above-room-temperature antiferromagnetic semiconductor

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