Zhu, Y. ; Pan, Y. F. ; Yang, Z. Q. ; Wei, X. Y. ; Hu, J. ; Feng, Y. P. ; Zhang, H. ; Wu, R. Q. (2019)
Ruderman–Kittel–Kasuya–Yosida Mechanism for Magnetic Ordering of Sparse Fe Adatoms on Graphene.
In: The Journal of Physical Chemistry C, 123 (7)
doi: 10.1021/acs.jpcc.8b11803
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
First-principles calculations are carried out to elucidate the mechanism of the exchange interaction among magnetic adatoms on graphene, using Fe–graphene as an example. By fitting the calculated spin wave spectra of different sparse adsorption configurations to the Heisenberg Hamiltonian, the exchange parameters between different neighbors (Ji) were found to follow a single Ruderman–Kittel–Kasuya–Yosida (RKKY)-type function, indicating that the RKKY mechanism plays the dominant role in governing the magnetic order in these systems. Furthermore, calculated formation energies suggest that the 3 × 3 structure can be a metastable state for the growth of Fe on graphene, which otherwise may easily form clusters.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2019 |
| Autor(en): | Zhu, Y. ; Pan, Y. F. ; Yang, Z. Q. ; Wei, X. Y. ; Hu, J. ; Feng, Y. P. ; Zhang, H. ; Wu, R. Q. |
| Art des Eintrags: | Bibliographie |
| Titel: | Ruderman–Kittel–Kasuya–Yosida Mechanism for Magnetic Ordering of Sparse Fe Adatoms on Graphene |
| Sprache: | Englisch |
| Publikationsjahr: | 31 Januar 2019 |
| Verlag: | American Chemical Society |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | The Journal of Physical Chemistry C |
| Jahrgang/Volume einer Zeitschrift: | 123 |
| (Heft-)Nummer: | 7 |
| DOI: | 10.1021/acs.jpcc.8b11803 |
| URL / URN: | https://doi.org/10.1021/acs.jpcc.8b11803 |
| Kurzbeschreibung (Abstract): | First-principles calculations are carried out to elucidate the mechanism of the exchange interaction among magnetic adatoms on graphene, using Fe–graphene as an example. By fitting the calculated spin wave spectra of different sparse adsorption configurations to the Heisenberg Hamiltonian, the exchange parameters between different neighbors (Ji) were found to follow a single Ruderman–Kittel–Kasuya–Yosida (RKKY)-type function, indicating that the RKKY mechanism plays the dominant role in governing the magnetic order in these systems. Furthermore, calculated formation energies suggest that the 3 × 3 structure can be a metastable state for the growth of Fe on graphene, which otherwise may easily form clusters. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien |
| Hinterlegungsdatum: | 28 Feb 2019 07:48 |
| Letzte Änderung: | 28 Feb 2019 07:48 |
| PPN: | |
| Sponsoren: | Work at NUAA and Fudan was supported by the NationalNatural Science Foundation of China (NSFC) (grant nos.:11204131, 11574051, 11474056)., Work at UCI was supportedby DOE-BES (grant no. DE-FG02-05ER46237)., Computersimulations were performed at the U.S. Department of EnergySupercomputer Facility (NERSC) and Fudan University High-End Computing Centre. |
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