Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene

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...

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Bibliographic Details
Published in:Journal of applied physics 2018-01, Vol.123 (1)
Main Authors: Crook, Charles B., Houchins, Gregory, Zhu, Jian-Xin, Balatsky, Alexander V., Constantin, Costel, Haraldsen, Jason T.
Format: Article
Language:English
Subjects:
Applied physics
Band structure
Chromium
Coupling
Density functional theory
Dependence
Electromagnetics
Electronic control
Exchanging
Graphene
Magnetic moments
Magnetic properties
Magnetism
Manganese
MATERIALS SCIENCE
Superlattices
Transition
Trimers
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Summary: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.
ISSN:0021-8979
1089-7550
1089-7550
DOI:10.1063/1.5007274