Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene
Abstract
This study examines the magnetic interactions between spatially variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic populations for the determination of the electronic and magnetic properties of the system. To explore the super-exchange coupling between the transition-metal atoms, we establish the magnetic ground states through a comparison of multiple magnetic and spatial configurations. Through an analysis of the electronic and magnetic properties, we conclude that the presence of transition-metal atoms can induce a distinct magnetic moment in the surrounding carbon atoms as well as produce a Ruderman-Kittel-Kasuya-Yosida-like super-exchange coupling. It is hoped that these simulations can lead to the realization of spintronic applications in graphene through electronic control of the magnetic clusters.
- Authors:
-
[2];
[3];
[4]
- James Madison Univ., Harrisonburg, VA (United States). Dept. of Physics and Astronomy
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Nordic Inst. for Theoretical Physics (NORDITA), Stockholm (Sweden)
- Univ. of North Florida, Jacksonville, FL (United States). Dept. of Physics
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1504645
- Alternate Identifier(s):
- OSTI ID: 1415511
- Report Number(s):
- LA-UR-16-26836
Journal ID: ISSN 0021-8979
- Grant/Contract Number:
- 89233218CNA000001; AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 123; Journal Issue: 1; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Crook, Charles B., Houchines, Gregory, Zhu, Jianxin, Balatsky, A. V., Constantin, Costel, and Haraldsen, Jason T. Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene. United States: N. p., 2018.
Web. doi:10.1063/1.5007274.
Crook, Charles B., Houchines, Gregory, Zhu, Jianxin, Balatsky, A. V., Constantin, Costel, & Haraldsen, Jason T. Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene. United States. doi:10.1063/1.5007274.
Crook, Charles B., Houchines, Gregory, Zhu, Jianxin, Balatsky, A. V., Constantin, Costel, and Haraldsen, Jason T. Sun .
"Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene". United States. doi:10.1063/1.5007274. https://www.osti.gov/servlets/purl/1504645.
@article{osti_1504645,
title = {Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene},
author = {Crook, Charles B. and Houchines, Gregory and Zhu, Jianxin and Balatsky, A. V. and Constantin, Costel and Haraldsen, Jason T.},
abstractNote = {This study examines the magnetic interactions between spatially variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic populations for the determination of the electronic and magnetic properties of the system. To explore the super-exchange coupling between the transition-metal atoms, we establish the magnetic ground states through a comparison of multiple magnetic and spatial configurations. Through an analysis of the electronic and magnetic properties, we conclude that the presence of transition-metal atoms can induce a distinct magnetic moment in the surrounding carbon atoms as well as produce a Ruderman-Kittel-Kasuya-Yosida-like super-exchange coupling. It is hoped that these simulations can lead to the realization of spintronic applications in graphene through electronic control of the magnetic clusters.},
doi = {10.1063/1.5007274},
journal = {Journal of Applied Physics},
number = 1,
volume = 123,
place = {United States},
year = {2018},
month = {1}
}
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Works referenced in this record:
First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties
journal, May 2010
- Santos, E. J. G.; Ayuela, A.; Sánchez-Portal, D.
- New Journal of Physics, Vol. 12, Issue 5
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
Spintronics: Fundamentals and applications
journal, April 2004
- Žutić, Igor; Fabian, Jaroslav; Das Sarma, S.
- Reviews of Modern Physics, Vol. 76, Issue 2
Dirac materials
journal, January 2014
- Wehling, T. O.; Black-Schaffer, A. M.; Balatsky, A. V.
- Advances in Physics, Vol. 63, Issue 1
Intrinsic and extrinsic performance limits of graphene devices on SiO2
journal, March 2008
- Chen, Jian-Hao; Jang, Chaun; Xiao, Shudong
- Nature Nanotechnology, Vol. 3, Issue 4, p. 206-209
Magnetic Correlations at Graphene Edges: Basis for Novel Spintronics Devices
journal, January 2008
- Yazyev, Oleg V.; Katsnelson, M. I.
- Physical Review Letters, Vol. 100, Issue 4
Proximity-induced magnetism in transition-metal substituted graphene
journal, August 2015
- Crook, Charles B.; Constantin, Costel; Ahmed, Towfiq
- Scientific Reports, Vol. 5, Issue 1
Spintronics: A Spin-Based Electronics Vision for the Future
journal, November 2001
- Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A.
- Science, Vol. 294, Issue 5546, p. 1488-1495
Evolution of thermodynamic properties and inelastic neutron scattering intensities for spin- antiferromagnetic quantum rings
journal, August 2016
- Haraldsen, Jason T.
- Physical Review B, Vol. 94, Issue 5
Giant Intrinsic Carrier Mobilities in Graphene and Its Bilayer
journal, January 2008
- Morozov, S. V.; Novoselov, K. S.; Katsnelson, M. I.
- Physical Review Letters, Vol. 100, Issue 1, Article No. 016602
Superior Thermal Conductivity of Single-Layer Graphene
journal, March 2008
- Balandin, Alexander A.; Ghosh, Suchismita; Bao, Wenzhong
- Nano Letters, Vol. 8, Issue 3, p. 902-907
The SIESTA method for ab initio order- N materials simulation
journal, March 2002
- Soler, José M.; Artacho, Emilio; Gale, Julian D.
- Journal of Physics: Condensed Matter, Vol. 14, Issue 11
Voltage-dependent spin flip in magnetically substituted graphene nanoribbons: Towards the realization of graphene-based spintronic devices
journal, April 2017
- Houchins, Gregory; Crook, Charles B.; Zhu, Jian-Xin
- Physical Review B, Vol. 95, Issue 15
Spintronics
journal, August 2010
- Bader, S. D.; Parkin, S. S. P.
- Annual Review of Condensed Matter Physics, Vol. 1, Issue 1
Magnetic impurities in graphene
journal, August 2011
- Hu, F. M.; Ma, Tianxing; Lin, Hai-Qing
- Physical Review B, Vol. 84, Issue 7
Spin rotation technique for non-collinear magnetic systems: application to the generalized Villain model
journal, April 2009
- Haraldsen, J. T.; Fishman, R. S.
- Journal of Physics: Condensed Matter, Vol. 21, Issue 21
Quest for magnetism in graphene via Cr- and Mo-doping: A DFT approach
journal, April 2016
- Thakur, Jyoti; Saini, Hardev S.; Singh, Mukhtiyar
- Physica E: Low-dimensional Systems and Nanostructures, Vol. 78
Unusual magnetic properties of graphene and related materials
journal, January 2012
- Rao, C. N. R.; Matte, H. S. S. Ramakrishna; Subrahmanyam, K. S.
- Chem. Sci., Vol. 3, Issue 1
Proximity-Induced Ferromagnetism in Graphene Revealed by the Anomalous Hall Effect
journal, January 2015
- Wang, Zhiyong; Tang, Chi; Sachs, Raymond
- Physical Review Letters, Vol. 114, Issue 1
Das Adsorptionsverhalten sehr d�nner Kohlenstoff-Folien
journal, July 1962
- Boehm, H. P.; Clauss, A.; Fischer, G. O.
- Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 316, Issue 3-4
Exchange interaction of magnetic impurities in graphene
journal, December 2006
- Dugaev, V. K.; Litvinov, V. I.; Barnas, J.
- Physical Review B, Vol. 74, Issue 22
Graphene and Graphene Oxide: Synthesis, Properties, and Applications
journal, June 2010
- Zhu, Yanwu; Murali, Shanthi; Cai, Weiwei
- Advanced Materials, Vol. 22, Issue 35, p. 3906-3924
Graphene Quantum Sheets: A New Material for Spintronic Applications
journal, October 2010
- Saha, Shyamal K.; Baskey, Moni; Majumdar, Dipanwita
- Advanced Materials, Vol. 22, Issue 48
Spintronics and pseudospintronics in graphene and topological insulators
journal, April 2012
- Pesin, Dmytro; MacDonald, Allan H.
- Nature Materials, Vol. 11, Issue 5
Realizing All-Spin-Based Logic Operations Atom by Atom
journal, May 2011
- Khajetoorians, A. A.; Wiebe, J.; Chilian, B.
- Science, Vol. 332, Issue 6033
Thermal properties of graphene: Fundamentals and applications
journal, November 2012
- Pop, Eric; Varshney, Vikas; Roy, Ajit K.
- MRS Bulletin, Vol. 37, Issue 12
Electronics based on two-dimensional materials
journal, October 2014
- Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe
- Nature Nanotechnology, Vol. 9, Issue 10
Designer Dirac fermions and topological phases in molecular graphene
journal, March 2012
- Gomes, Kenjiro K.; Mar, Warren; Ko, Wonhee
- Nature, Vol. 483, Issue 7389
Atomic-scale control of graphene magnetism by using hydrogen atoms
journal, April 2016
- Gonzalez-Herrero, H.; Gomez-Rodriguez, J. M.; Mallet, P.
- Science, Vol. 352, Issue 6284
Challenges for semiconductor spintronics
journal, March 2007
- Awschalom, David D.; Flatté, Michael E.
- Nature Physics, Vol. 3, Issue 3
The rise of graphene
journal, March 2007
- Geim, A. K.; Novoselov, K. S.
- Nature Materials, Vol. 6, Issue 3, p. 183-191
Neutron scattering and magnetic observables for spin clusters and molecular magnets
journal, February 2005
- Haraldsen, J. T.; Barnes, T.; Musfeldt, J. L.
- Physical Review B, Vol. 71, Issue 6
The electronic properties of graphene
journal, January 2009
- Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
- Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
Ultrahigh electron mobility in suspended graphene
journal, June 2008
- Bolotin, K. I.; Sikes, K. J.; Jiang, Z.
- Solid State Communications, Vol. 146, Issue 9-10, p. 351-355
Density-functional method for nonequilibrium electron transport
journal, March 2002
- Brandbyge, Mads; Mozos, José-Luis; Ordejón, Pablo
- Physical Review B, Vol. 65, Issue 16, Article No. 165401
Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations
journal, January 2008
- Boukhvalov, D. W.; Katsnelson, M. I.; Lichtenstein, A. I.
- Physical Review B, Vol. 77, Issue 3
First principles materials design for semiconductor spintronics
journal, March 2002
- Sato, K.; Katayama-Yoshida, H.
- Semiconductor Science and Technology, Vol. 17, Issue 4
RKKY interaction in graphene from the lattice Green’s function
journal, April 2011
- Sherafati, M.; Satpathy, S.
- Physical Review B, Vol. 83, Issue 16
Electron spins in quantum dots for spintronics and quantum computation
journal, July 2001
- Engel, Hans-Andreas; Recher, Patrik; Loss, Daniel
- Solid State Communications, Vol. 119, Issue 4-5
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
journal, July 2008
- Lee, C.; Wei, X.; Kysar, J. W.
- Science, Vol. 321, Issue 5887, p. 385-388
Two-dimensional monolayer designs for spintronics applications: Two-dimensional monolayer designs for spintronics applications
journal, April 2016
- Li, Xiuling; Wu, Xiaojun
- Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 6, Issue 4
Spin rotation technique for non-collinear magnetic systems: application to the generalized Villain model
journal, November 2010
- Haraldsen, J. T.; Fishman, R. S.
- Journal of Physics: Condensed Matter, Vol. 22, Issue 50
The rise of graphene
book, August 2009
- Rodgers, Peter; Geim, A. K.; Novoselov, K. S.
- Nanoscience and Technology: A Collection of Reviews from Nature Journals, p. 11-19