Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction
Abstract
Abstract The feasibility of a single‐domain ferromagnet based on uniaxial magnetic ions was examined. For a noncentrosymmetric uniaxial magnetic ion of magnetic moment μ at a site of local electric dipole moment p , it is unknown to date whether μ prefers to be parallel or antiparallel to μ . The nature of this magnetoelectric interaction was probed in terms of analogical reasoning based on the Rashba effect and density functional theory (DFT) calculations. We show that μ and p prefer an antiparallel arrangement, predict that Fe‐doped CaZnOS is a single‐domain ferromagnet like a bar magnet, and find the probable cause for the ferromagnetism and weak magnetization hysteresis in Fe‐doped hexagonal ZnO and ZnS at very low dopant concentrations.
- Authors:
-
[3]
- Kyung Hee Univ., Seoul (Korea). Dept. of Chemistry and Research Inst. for Basic Sciences
- North Carolina State Univ., Raleigh, NC (United States). Dept. of Chemistry
- North Carolina State Univ., Raleigh, NC (United States). Dept. of Chemistry; Chinese Academy of Sciences (CAS), Fuzhou (China). Fujian Inst. of Research on the Structure of Matter (FJIRSM), State Key Lab. of Structural Chemistry, Group SDeng
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1543470
- Alternate Identifier(s):
- OSTI ID: 1400475
- Grant/Contract Number:
- AC02-05CH11231; Contract No. DE-AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Angewandte Chemie (International Edition)
- Additional Journal Information:
- Journal Name: Angewandte Chemie (International Edition); Journal Volume: 56; Journal Issue: 34; Journal ID: ISSN 1433-7851
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; chemistry; ferromagnets; loss of inversion symmetry; magnetoelectric interaction; spin-orbit coupling; uniaxial magnetic ion
Citation Formats
Koo, Hyun-Joo, Gordon, Elijah E., and Whangbo, Myung-Hwan. Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction. United States: N. p., 2017.
Web. doi:10.1002/anie.201701699.
Koo, Hyun-Joo, Gordon, Elijah E., & Whangbo, Myung-Hwan. Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction. United States. https://doi.org/10.1002/anie.201701699
Koo, Hyun-Joo, Gordon, Elijah E., and Whangbo, Myung-Hwan. Tue .
"Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction". United States. https://doi.org/10.1002/anie.201701699. https://www.osti.gov/servlets/purl/1543470.
@article{osti_1543470,
title = {Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction},
author = {Koo, Hyun-Joo and Gordon, Elijah E. and Whangbo, Myung-Hwan},
abstractNote = {Abstract The feasibility of a single‐domain ferromagnet based on uniaxial magnetic ions was examined. For a noncentrosymmetric uniaxial magnetic ion of magnetic moment μ at a site of local electric dipole moment p , it is unknown to date whether μ prefers to be parallel or antiparallel to μ . The nature of this magnetoelectric interaction was probed in terms of analogical reasoning based on the Rashba effect and density functional theory (DFT) calculations. We show that μ and p prefer an antiparallel arrangement, predict that Fe‐doped CaZnOS is a single‐domain ferromagnet like a bar magnet, and find the probable cause for the ferromagnetism and weak magnetization hysteresis in Fe‐doped hexagonal ZnO and ZnS at very low dopant concentrations.},
doi = {10.1002/anie.201701699},
journal = {Angewandte Chemie (International Edition)},
number = 34,
volume = 56,
place = {United States},
year = {Tue Apr 25 00:00:00 EDT 2017},
month = {Tue Apr 25 00:00:00 EDT 2017}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journalFigures / Tables:
Figure 1: MLn polyhedra (n = 2, 4, 6) containing uniaxial magnetic ions M, where cobalt spheres = M, and small spheres = L. The z-axis taken along the C3 rotational axis in b) – e).
All figures and tables
(8 total)
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:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Superparamagnetism and Other Magnetic Features in Granular Materials: A Review on Ideal and Real Systems
journal, June 2008
- Knobel, M.; Nunes, W. C.; Socolovsky, L. M.
- Journal of Nanoscience and Nanotechnology, Vol. 8, Issue 6
Magnetic properties and energy-mapping analysis
journal, January 2013
- Xiang, Hongjun; Lee, Changhoon; Koo, Hyun-Joo
- Dalton Trans., Vol. 42, Issue 4
A Genuine Two-Dimensional Ising Ferromagnet with Magnetically Driven Re-entrant Transition
journal, October 2012
- Kabbour, Houria; David, Rénald; Pautrat, Alain
- Angewandte Chemie International Edition, Vol. 51, Issue 47
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Prediction of Spin Orientations in Terms of HOMO–LUMO Interactions Using Spin–Orbit Coupling as Perturbation
journal, November 2015
- Whangbo, Myung-Hwan; Gordon, Elijah E.; Xiang, Hongjun
- Accounts of Chemical Research, Vol. 48, Issue 12
Geometrically frustrated magnetic materials
journal, January 2001
- Greedan, John E.
- Journal of Materials Chemistry, Vol. 11, Issue 1
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
Color Manipulation of Intense Multiluminescence from CaZnOS:Mn 2+ by Mn 2+ Concentration Effect
journal, October 2015
- Zhang, Jun-Cheng; Zhao, Li-Zhen; Long, Yun-Ze
- Chemistry of Materials, Vol. 27, Issue 21
Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems
journal, October 2008
- Dai, Dadi; Xiang, Hongjun; Whangbo, Myung-Hwan
- Journal of Computational Chemistry, Vol. 29, Issue 13
Magnetic blocking in a linear iron(I) complex
journal, May 2013
- Zadrozny, Joseph M.; Xiao, Dianne J.; Atanasov, Mihail
- Nature Chemistry, Vol. 5, Issue 7
Magnetic order in the frustrated Ising-like chain compound
journal, July 2014
- Lefrançois, E.; Chapon, L. C.; Simonet, V.
- Physical Review B, Vol. 90, Issue 1
Classical spin and quantum-mechanical descriptions of geometric spin frustration
journal, July 2004
- Dai, Dadi; Whangbo, Myung-Hwan
- The Journal of Chemical Physics, Vol. 121, Issue 2
Mechanoluminescence properties of red-emitting piezoelectric semiconductor MZnOS:Mn<sup>2+</sup> (M = Ca, Ba) with layered structure
journal, January 2016
- Tu, Dong; Peng, Dengfeng; Xu, Chao-Nan
- Journal of the Ceramic Society of Japan, Vol. 124, Issue 6
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Interplay between Jahn-Teller instability, uniaxial magnetism, and ferroelectricity in
journal, February 2009
- Zhang, Y.; Xiang, H. J.; Whangbo, M. -H.
- Physical Review B, Vol. 79, Issue 5
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Slow Magnetic Relaxation in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes
journal, December 2010
- Harman, W. Hill; Harris, T. David; Freedman, Danna E.
- Journal of the American Chemical Society, Vol. 132, Issue 51
Investigation of the Magnetic and Optical Properties of Wurtzite Fe-Doped ZnS Nanorods
journal, February 2015
- Kumar, Sunil; Verma, N. K.
- Journal of Electronic Materials, Vol. 44, Issue 8
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Photoluminescence and magnetic properties of Fe-doped ZnS nano-particles synthesized by chemical co-precipitation
journal, August 2011
- Eryong, Nie; Donglai, Liu; Yunsen, Zhang
- Applied Surface Science, Vol. 257, Issue 21
Frustrated Ising chains on the triangular lattice in
journal, May 2016
- Toth, S.; Wu, W.; Adroja, D. T.
- Physical Review B, Vol. 93, Issue 17
A Genuine Two-Dimensional Ising Ferromagnet with Magnetically Driven Re-entrant Transition
journal, October 2012
- Kabbour, Houria; David, Rénald; Pautrat, Alain
- Angewandte Chemie, Vol. 124, Issue 47
Structure and Physical Properties of the Polar Oxysulfide CaZnOS
journal, April 2007
- Sambrook, Timothy; Smura, Catherine F.; Clarke, Simon J.
- Inorganic Chemistry, Vol. 46, Issue 7
Two-dimensional magnetic correlations and partial long-range order in geometrically frustrated CaOFeS with triangle lattice of Fe ions
journal, March 2015
- Jin, S. F.; Huang, Q.; Lin, Z. P.
- Physical Review B, Vol. 91, Issue 9
Phosphorescence quenching by mechanical stimulus in CaZnOS:Cu
journal, July 2014
- Tu, Dong; Xu, Chao-Nan; Fujio, Yuki
- Applied Physics Letters, Vol. 105, Issue 1
Analysis of the Uniaxial Magnetic Properties of High-Spin d 6 Ions at Trigonal Prism and Linear Two-Coordinate Sites: Uniaxial Magnetic Properties of Ca 3 Co 2 O 6 and Fe[C(SiMe 3 ) 3 ] 2
journal, June 2005
- Dai, Dadi; Whangbo, Myung-Hwan
- Inorganic Chemistry, Vol. 44, Issue 12
Virtual Free Ion Magnetism and the Absence of Jahn−Teller Distortion in a Linear Two-Coordinate Complex of High-Spin Iron(II)
journal, August 2004
- Reiff, William M.; LaPointe, Anne M.; Witten, Edward H.
- Journal of the American Chemical Society, Vol. 126, Issue 33
Multiferroicity: the coupling between magnetic and polarization orders
journal, July 2009
- Wang, K. F.; Liu, J. -M.; Ren, Z. F.
- Advances in Physics, Vol. 58, Issue 4
Ferromagnetism in Fe-doped ZnO nanocrystals: Experiment and theory
journal, April 2007
- Karmakar, Debjani; Mandal, S. K.; Kadam, R. M.
- Physical Review B, Vol. 75, Issue 14
Spin orientations of the spin-half Ir 4+ ions in Sr 3 NiIrO 6 , Sr 2 IrO 4 , and Na 2 IrO 3 : Density functional, perturbation theory, and Madelung potential analyses
journal, March 2016
- Gordon, Elijah E.; Xiang, Hongjun; Köhler, Jürgen
- The Journal of Chemical Physics, Vol. 144, Issue 11
New perspectives for Rashba spin–orbit coupling
journal, August 2015
- Manchon, A.; Koo, H. C.; Nitta, J.
- Nature Materials, Vol. 14, Issue 9
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.