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 | |
| State | Published - Jan 1 2019 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Materials Chemistry
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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 journal › Article
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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U2 - 10.1039/c8tc05059g
DO - 10.1039/c8tc05059g
M3 - Article
AN - SCOPUS:85060169463
VL - 7
SP - 509
EP - 522
JO - Journal of Materials Chemistry C
JF - Journal of Materials Chemistry C
SN - 2050-7526
IS - 3
ER -