Controlling the magnetocrystalline anisotropy of ε-Fe2O3
Abstract
The magnetocrystalline anisotropy of pristine and Co-substituted ε-Fe2O3 is investigated by density functional calculations. The epsilon-iron oxide is the only polymorph of Fe2O3 magnetoelectric in its antiferromagnetic ground states other crystalline forms being α-Fe2O3 (hematite), β-Fe2O3, and γ-Fe2O3 (maghemite). The magnetizations of the four iron sublattices are antiferromagnetically aligned with slightly different magnetic moments resulting in a ferrimagnetic structure. Compared to the naturally occurring hematite and maghemite, bulk ε-Fe2O3 is difficult to prepare, but ε-Fe2O3 nanomaterials of different geometries and feature sizes have been fabricated. A coercivity of 20 kOe [2 T] was reported in nanocomposites of ε-Fe2O3, and an upper bound for the magnetic anisotropy constant K at a low temperature of ε-Fe2O3 is previously measured to be 0.1 MJ/m3. In the Co-substituted oxides, one octahedral or tetrahedral Fe atom per unit cell has been replaced by Co. The cobalt substitution substantially enhances magnetization and anisotropy.
- Authors:
-
[1];
- Indian Inst. of Technology (IIT), Mandi (India)
- Univ. of Nebraska, Lincoln, NE (United States)
- Publication Date:
- Research Org.:
- Univ. of Nebraska, Lincoln, NE (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1609555
- Grant/Contract Number:
- FG02-04ER46152
- Resource Type:
- Accepted Manuscript
- Journal Name:
- AIP Advances
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 3; Conference: 14. Joint MMM-Intermag Conference, Washington, DC (United States), 14-18 Jan 2019; Journal ID: ISSN 2158-3226
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; Science & Technology - Other Topics; Materials Science; Physics
Citation Formats
Ahamed, Imran, Skomski, Ralph, and Kashyap, Arti. Controlling the magnetocrystalline anisotropy of ε-Fe2O3. United States: N. p., 2019.
Web. doi:10.1063/1.5080144.
Ahamed, Imran, Skomski, Ralph, & Kashyap, Arti. Controlling the magnetocrystalline anisotropy of ε-Fe2O3. United States. https://doi.org/10.1063/1.5080144
Ahamed, Imran, Skomski, Ralph, and Kashyap, Arti. Mon .
"Controlling the magnetocrystalline anisotropy of ε-Fe2O3". United States. https://doi.org/10.1063/1.5080144. https://www.osti.gov/servlets/purl/1609555.
@article{osti_1609555,
title = {Controlling the magnetocrystalline anisotropy of ε-Fe2O3},
author = {Ahamed, Imran and Skomski, Ralph and Kashyap, Arti},
abstractNote = {The magnetocrystalline anisotropy of pristine and Co-substituted ε-Fe2O3 is investigated by density functional calculations. The epsilon-iron oxide is the only polymorph of Fe2O3 magnetoelectric in its antiferromagnetic ground states other crystalline forms being α-Fe2O3 (hematite), β-Fe2O3, and γ-Fe2O3 (maghemite). The magnetizations of the four iron sublattices are antiferromagnetically aligned with slightly different magnetic moments resulting in a ferrimagnetic structure. Compared to the naturally occurring hematite and maghemite, bulk ε-Fe2O3 is difficult to prepare, but ε-Fe2O3 nanomaterials of different geometries and feature sizes have been fabricated. A coercivity of 20 kOe [2 T] was reported in nanocomposites of ε-Fe2O3, and an upper bound for the magnetic anisotropy constant K at a low temperature of ε-Fe2O3 is previously measured to be 0.1 MJ/m3. In the Co-substituted oxides, one octahedral or tetrahedral Fe atom per unit cell has been replaced by Co. The cobalt substitution substantially enhances magnetization and anisotropy.},
doi = {10.1063/1.5080144},
journal = {AIP Advances},
number = 3,
volume = 9,
place = {United States},
year = {Mon Mar 18 00:00:00 EDT 2019},
month = {Mon Mar 18 00:00:00 EDT 2019}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 3 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Optimized Synthesis of the Elusive ε-Fe 2 O 3 Phase via Sol−Gel Chemistry
journal, December 2004
- Popovici, Mihaela; Gich, Martí; Nižňanský, Daniel
- Chemistry of Materials, Vol. 16, Issue 25
Study of the Electronic Structure and Magnetic Properties of ε-Fe 2 O 3 by First-Principles Calculation and Molecular Orbital Calculations
journal, April 2012
- Yoshikiyo, Marie; Yamada, Kana; Namai, Asuka
- The Journal of Physical Chemistry C, Vol. 116, Issue 15
Hard Magnetic Ferrite: ε -Fe 2 O 3
journal, August 2013
- Ohkoshi, Shin-ichi; Tokoro, Hiroko
- Bulletin of the Chemical Society of Japan, Vol. 86, Issue 8
First-principles Hubbard U approach for small molecule binding in metal-organic frameworks
journal, May 2016
- Mann, Gregory W.; Lee, Kyuho; Cococcioni, Matteo
- The Journal of Chemical Physics, Vol. 144, Issue 17
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Structural and Magnetic Characterization ofε-Fe2O3
journal, August 1998
- Tronc, E.; Chanéac, C.; Jolivet, J. P.
- Journal of Solid State Chemistry, Vol. 139, Issue 1
Large coercivity and low-temperature magnetic reorientation in ε‐Fe2O3 nanoparticles
journal, August 2005
- Gich, M.; Roig, A.; Frontera, C.
- Journal of Applied Physics, Vol. 98, Issue 4
Giant Coercive Field of Nanometer- Sized Iron Oxide
journal, January 2004
- Jin, J.; Ohkoshi, S.; Hashimoto, K.
- Advanced Materials, Vol. 16, Issue 1
Luogufengite: A new nano-mineral of Fe 2 O 3 polymorph with giant coercive field
journal, April 2017
- Xu, Huifang; Lee, Seungyeol; Xu, Hongwu
- American Mineralogist, Vol. 102, Issue 4
New minerals and nomenclature modifications approved in 2016
journal, April 2016
- Hålenius, U.; Hatert, F.; Pasero, M.
- Mineralogical Magazine, Vol. 80, Issue 2
New minerals and nomenclature modifications approved in 2016
journal, June 2016
- Hålenius, U.; Hatert, F.; Pasero, M.
- Mineralogical Magazine, Vol. 80, Issue 4
Simple ALD process for ε-Fe 2 O 3 thin films
journal, May 2017
- Tanskanen, A.; Mustonen, O.; Karppinen, M.
- APL Materials, Vol. 5, Issue 5
New minerals and nomenclature modifications approved in 2016
journal, October 2016
- Hålenius, U.; Hatert, F.; Pasero, M.
- Mineralogical Magazine, Vol. 80, Issue 6
Learning from the past: Rare ε-Fe2O3 in the ancient black-glazed Jian (Tenmoku) wares
journal, May 2014
- Dejoie, Catherine; Sciau, Philippe; Li, Weidong
- Scientific Reports, Vol. 4, Issue 1
Magnetic and thermal properties of ε-Fe2O3
journal, February 1973
- Dézsi, I.; Coey, J. M. D.
- Physica Status Solidi (a), Vol. 15, Issue 2
Magnetocrystalline anisotropy of ε -Fe 2 O 3
journal, May 2018
- Ahamed, Imran; Pathak, Rohit; Skomski, Ralph
- AIP Advances, Vol. 8, Issue 5
Eine neue Eisen(III)-oxidphase: ?-Fe2O3
journal, February 1963
- Schrader, R.; B�ttner, G.
- Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 320, Issue 5-6
Widespread occurrence of a novel high coercivity, thermally stable, low unblocking temperature magnetic phase in heated archeological material
journal, January 2007
- McIntosh, G.; Kovacheva, M.; Catanzariti, G.
- Geophysical Research Letters, Vol. 34, Issue 21
Magnetoelectric ϵ -Fe 2 O 3 : DFT study of a potential candidate for electrode material in photoelectrochemical cells
journal, June 2018
- Ahamed, Imran; Ulman, Kanchan; Seriani, Nicola
- The Journal of Chemical Physics, Vol. 148, Issue 21
Epitaxial stabilization of ε-Fe2O3 (00l) thin films on SrTiO3 (111)
journal, March 2010
- Gich, M.; Gazquez, J.; Roig, A.
- Applied Physics Letters, Vol. 96, Issue 11
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Room-temperature ground magnetic state of ɛ-Fe 2 O 3 : In-field Mössbauer spectroscopy evidence for collinear ferrimagnet
journal, December 2011
- Tucek, Jiri; Ohkoshi, Shin-ichi; Zboril, Radek
- Applied Physics Letters, Vol. 99, Issue 25
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021
- Chen, Ruyi; Cui, Qirui; Liao, Liyang
- Nature Communications, Vol. 12, Issue 1
First-Principles Calculations and Optical Absorption Spectrum of a Light-Colored Aluminum-Substituted ε-Iron Oxide Magnet
journal, January 2017
- Nasu, Tomomichi; Yoshikiyo, Marie; Tokoro, Hiroko
- European Journal of Inorganic Chemistry, Vol. 2017, Issue 3
Electron correlations in narrow energy bands
journal, November 1963
- Hubbard, J.
- Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 276, Issue 1365, p. 238-257
Magnetoelectric coupling in ε-Fe 2 O 3 nanoparticles
journal, January 2006
- Gich, M.; Frontera, C.; Roig, A.
- Nanotechnology, Vol. 17, Issue 3
Origin of Ferrimagnetism and Ferroelectricity in Room-Temperature Multiferroic
journal, April 2018
- Xu, K.; Feng, J. S.; Liu, Z. P.
- Physical Review Applied, Vol. 9, Issue 4
Hard magnetic ferrite with a gigantic coercivity and high frequency millimetre wave rotation
journal, January 2012
- Namai, Asuka; Yoshikiyo, Marie; Yamada, Kana
- Nature Communications, Vol. 3, Issue 1
Iron(III) Oxides from Thermal ProcessesSynthesis, Structural and Magnetic Properties, Mössbauer Spectroscopy Characterization, and Applications †
journal, March 2002
- Zboril, Radek; Mashlan, Miroslav; Petridis, Dimitris
- Chemistry of Materials, Vol. 14, Issue 3
High coercivity remanence in baked clay materials used in archeomagnetism: HIGH COERCIVITY REMANENCE
journal, February 2011
- McIntosh, Gregg; Kovacheva, Mary; Catanzariti, Gianluca
- Geochemistry, Geophysics, Geosystems, Vol. 12, Issue 2
Nanowire Structural Evolution from Fe 3 O 4 to ϵ-Fe 2 O 3
journal, March 2007
- Ding, Y.; Morber, J. R.; Snyder, R. L.
- Advanced Functional Materials, Vol. 17, Issue 7
First‐Principles Calculations and Optical Absorption Spectrum of a Light‐Colored Aluminum‐Substituted ε‐Iron Oxide Magnet
journal, December 2016
- Nasu, Tomomichi; Yoshikiyo, Marie; Tokoro, Hiroko
- European Journal of Inorganic Chemistry, Vol. 2017, Issue 3
New minerals and nomenclature modifications approved in 2016
journal, August 2016
- Hålenius, U.; Hatert, F.; Pasero, M.
- Mineralogical Magazine, Vol. 80, Issue 5
New minerals and nomenclature modifications approved in 2016
journal, December 2016
- Hålenius, U.; Hatert, F.; Pasero, M.
- Mineralogical Magazine, Vol. 80, Issue 7