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

Crook, Charles B.; Houchines, Gregory; Zhu, Jianxin; Balatsky, A. V.; Constantin, Costel; Haraldsen, Jason T.

doi:10.1063/1.5007274

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

Journal Article · Sun Jan 07 00:00:00 EST 2018 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5007274· OSTI ID:1504645

Crook, Charles B. ^[1]; Houchines, Gregory ^[1];

^[2];

^[3]; Constantin, Costel ^[1];

^[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

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.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: 89233218CNA000001; AC52-06NA25396

OSTI ID:: 1504645

Alternate ID(s):: OSTI ID: 1415511

Report Number(s):: LA-UR-16-26836

Journal Information:: Journal of Applied Physics, Vol. 123, Issue 1; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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