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Title: Proximity-induced magnetism in transition-metal substituted graphene

Abstract

We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, where the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction.

Authors:
 [1];  [1];  [2];  [2];  [3];  [1]
  1. James Madison Univ., Harrisonburg, VA (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); NORDITA, Stockholm (Sweden)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1212695
Grant/Contract Number:  
AC07-05ID14517
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; electronic properties and materials; electronic structure; spintronics; surfaces, interfaces and thin films

Citation Formats

Crook, Charles B., Constantin, Costel, Ahmed, Towfiq, Zhu, Jian -Xin, Balatsky, Alexander V., and Haraldsen, Jason T. Proximity-induced magnetism in transition-metal substituted graphene. United States: N. p., 2015. Web. doi:10.1038/srep12322.
Crook, Charles B., Constantin, Costel, Ahmed, Towfiq, Zhu, Jian -Xin, Balatsky, Alexander V., & Haraldsen, Jason T. Proximity-induced magnetism in transition-metal substituted graphene. United States. https://doi.org/10.1038/srep12322
Crook, Charles B., Constantin, Costel, Ahmed, Towfiq, Zhu, Jian -Xin, Balatsky, Alexander V., and Haraldsen, Jason T. Mon . "Proximity-induced magnetism in transition-metal substituted graphene". United States. https://doi.org/10.1038/srep12322. https://www.osti.gov/servlets/purl/1212695.
@article{osti_1212695,
title = {Proximity-induced magnetism in transition-metal substituted graphene},
author = {Crook, Charles B. and Constantin, Costel and Ahmed, Towfiq and Zhu, Jian -Xin and Balatsky, Alexander V. and Haraldsen, Jason T.},
abstractNote = {We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, where the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction.},
doi = {10.1038/srep12322},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2015},
month = {Mon Aug 03 00:00:00 EDT 2015}
}

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Cited by: 27 works
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Works referencing / citing this record:

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