Adatoms and Clusters of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>Transition Metals on Graphene: Electronic and Magnetic Configurations

Eelbo, T.; Waśniowska, M.; Thakur, P.; Gyamfi, M.; Sachs, B.; Wehling, T. O.; Forti, Stiven; Starke, Ulrich; Tieg, C.; Lichtenstein, A. I.; Wiesendanger, R.

doi:10.1103/physrevlett.110.136804

Cited by 171 publications

(162 citation statements)

References 30 publications

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“…Recent theoretical studies show that it is possible to attach metal atoms in defected graphene much more firmly than to pristine graphene [12][13][14]. Electronic and magnetic properties of transition metal (TM), e.g., Fe, * Soumyajyoti.haldar@physics.uu.se † Corresponding author: Biplab.sanyal@physics.uu.se Co, Ni clusters on monolayer graphene, have been studied using x-ray magnetic circular dichroism (XMCD) [15]. Also it has been predicted that a Ir dimer adsorbed in single-vacancy graphene has a very high magnetic anisotropy energy (MAE) [16].…”

Section: Introductionmentioning

confidence: 99%

Fen(n=1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

et al. 2014

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In this work, we have studied the chemical and magnetic interactions of Fe n (n = 1-6) clusters with vacancy defects (monovacancy to correlated vacancies with six missing C atoms) in a graphene sheet by ab initio density functional calculations combined with Hubbard U corrections for correlated Fe-d electrons. It is found that the vacancy formation energies are lowered in the presence of Fe, indicating an easier destruction of the graphene sheet. Due to strong chemical interactions between Fe clusters and vacancies, a complex distribution of magnetic moments appear on the distorted Fe clusters which results in reduced averaged magnetic moments compared to the free clusters. In addition to that, we have calculated spin-dipole moments and magnetic anisotropy energies. The calculated spin-dipole moments arising from anisotropic spin density distributions vary between positive and negative values, yielding increased or decreased effective moments. Depending on the cluster geometry, the easy axis of magnetization of the Fe clusters shows in-plane or out-of-plane behavior.

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Section: Introductionmentioning

confidence: 99%

Fen(n=1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

et al. 2014

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“…The ease with which graphene can be functionalized with hydrogen [3][4][5], oxygen [6][7][8], and metal atoms [9][10][11] has further added a new dimension into its potential for novel applications. Atomic layer deposition (ALD) is an efficient surface controlled thin film growth technique that is often used to deposit metal atoms on graphene [12].…”

Section: Introductionmentioning

confidence: 99%

Tailoring Li adsorption on graphene

et al. 2014

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The technological potential of functionalized graphene has recently stimulated considerable interest in the study of the adsorption of metal atoms on graphene. However, a complete understanding of the optimal adsorption pattern of metal atoms on a graphene substrate has not been easy because of atomic relaxations at the interface and the interaction between metal atoms. We present a partial particle swarm optimization technique that allows us to efficiently search for the equilibrium geometries of metal atoms adsorbed on a substrate as a function of adatom concentration. Using Li deposition on graphene as an example we show that, contrary to previous works, Li atoms prefer to cluster, forming four-atom islands, irrespective of their concentration. We further show that an external electric field applied vertically to the graphene surface or doping with boron can prevent this clustering, leading to the homogeneous growth of Li.

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“…The Kondo effect due to magnetic adatoms such as cobalt, present different behaviors depending on the position of the impurities in graphene sublattices. In addition, orbital and magnetic moments of the impurities strongly depend on the used substrate [96][97][98]. For adatoms directly on top of carbon sites, a Fermi liquid behavior consistent with an SU (2) Kondo effect has been predicted and found to be consistent with experimental results [99][100][101][102].…”

Section: Introductionsupporting

confidence: 72%

A non-perturbative treatment of quantum impurity problems in real lattices

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Adatoms and Clusters of3dTransition Metals on Graphene: Electronic and Magnetic Configurations

Cited by 171 publications

References 30 publications

Fen(n=1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

Fen(n=1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

Tailoring Li adsorption on graphene

A non-perturbative treatment of quantum impurity problems in real lattices

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