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:
-
- 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}
}
Web of Science
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