No Access Submitted: 02 October 2017 Accepted: 06 December 2017 Published Online: 03 January 2018
Journal of Applied Physics 123, 013903 (2018); https://doi.org/10.1063/1.5007274
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  • Charles B. Crook
  • Gregory Houchins
  • Jian-Xin Zhu
  • Alexander V. Balatsky
  • Costel Constantin
  • Jason T. Haraldsen
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.
C.B.C., G.H., and J.T.H. acknowledge undergraduate support from the Institute for Materials Science at Los Alamos and computational support from the Center for Integrated Nanotechnologies at Los Alamos National Laboratory, a user facility. J.T.H. would also like to acknowledge travel support from the Kavli Institute for Theoretical Physics at the University of California Santa Barbara. The work at Los Alamos National Laboratory was carried out under the auspice of the U.S. DOE and NNSA under Contract No. DEAC52-06NA25396 and supported by U.S. DOE Basic Energy Sciences E304 (J.-X.Z.). Furthermore, A.V.B. acknowledges support by US DOE Basic Energy Sciences E3B7, European Research Council Advanced Grant DM 321031, and Knut and Alice Wallenberg Foundation.
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  1. © 2018 Author(s). Published by AIP Publishing.