<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>Fe</mml:mi><mml:mi>n</mml:mi></mml:msub></mml:math>(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>n</mml:mi><mml:mo>=</mml:mo><mml:mn>1</mml:mn><mml:mo>–</mml:mo><mml:mn>6</mml:mn></mml:mrow></mml:math>) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

Haldar, Soumyajyoti; Pujari, Bhalchandra S.; Bhandary, Sumanta; Cossu, Fabrizio; Eriksson, Olle; Kanhere, D. G.; Sanyal, Biplab

doi:10.1103/physrevb.89.205411

Cited by 18 publications

(8 citation statements)

References 40 publications

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“…26 Using density functional theory (DFT), recent studies by Bhandary et al 27 on the magnetism in FeP/graphene/ Ni(111) system suggest that the defects can severely modify the observed magnetism depending on the type of defect. Similar DFT studies by Haldar et al 28 on the chemisorbed Fe n clusters (n ¼ 1-6) on vacancy sites in graphene suggest that these clusters favor vacancy formation and so they tend to reside on the vacancy giving rise to anisotropy and spin density. Experimentally, He and Gao 29 have reported on the electrical and magnetic properties of graphene nanosheets coated with Fe 3 O 4 nanoparticles prepared chemically by simultaneous reduction of graphene oxide and formation of 1.2 to 6.3 nm Fe 3 O 4 particles.…”

supporting

confidence: 61%

Multilayered graphene acquires ferromagnetism in proximity with magnetite particles

Seifu

Neupane

Giri

et al. 2015

Applied Physics Letters

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Magnetic behavior of reduced graphene oxide/metal nanocomposites J. Appl. Phys. 113, 17B525 (2013); 10.1063/1.4799150Facile synthesis of single-phase spherical α″-Fe16N2/Al2O3 core-shell nanoparticles via a gas-phase method Anisotropic diamagnetism of pristine graphite and graphene is well known. Here, evidence of significant induced ferromagnetism in multilayer graphene (MLG) decorated with ferrimagnetic Fe 3 O 4 particles is reported. This MLG-Fe 3 O 4 nano-composite was prepared by a one-step ultrasonic treatment at 75 C in the surfactant sodium dodecyl-benzene-sulfonate. To verify the phase structure and morphology of the composite, X-ray diffraction, scanning and transmission electron microscopy, scanning tunneling electron microscopy, and Raman spectroscopy were employed. Room temperature data of magnetization versus magnetic field showed that the saturation magnetization M S ¼ 58.6 emu/gm for pristine Fe 3 O 4 increased to M S ¼ 158.4 emu/gm for a 1:1 composite of Fe 3 O 4 to MLG. These results lead to induced M S ¼ 253 emu/gm in MLG resulting from its proximity to Fe 3 O 4 . Similar experiments on Fe 3 O 4 to single walled carbon nanotubes (SWNT) composite did not show any induced magnetism in SWNT. V C 2015 AIP Publishing LLC.

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supporting

confidence: 61%

Multilayered graphene acquires ferromagnetism in proximity with magnetite particles

Seifu

Neupane

Giri

et al. 2015

Applied Physics Letters

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“…Density functional theory (DFT) calculations have shown that ferromagnetism can be introduced in graphene by e.g. semi-hydrogenation 7 , adding vacancies 8,9 or adding adatoms [9][10][11][12][13][14] . Semi-hydrogenating graphene sheets, where one sublattice is fully hydrogenated, while the other is not, leads to a sublattice imbalance, which induces a magnetic moment of 1 µ B per unit cell 7 .…”

Section: Introductionmentioning

confidence: 99%

“…Lehtinen et al 8 find that the spinpolarized state may be unstable, and find that it can be stabilized by adsorption of two hydrogen atoms in the vacancy, with a resulting magnetic moment of 1.2 µ B . The spin of a vacancy generally increases with the number of missing carbon atoms, except for the divacancy where the magnetic moment is vanishing 9 . Ferromagnetism can also be induced by transition metal adatoms on graphene or in graphene vacancies.…”

Section: Introductionmentioning

confidence: 99%

Stability and magnetization of free-standing and graphene-embedded iron membranes

2015

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Inspired by recent experimental realizations of monolayer Fe membranes in graphene perforations, we perform ab initio calculations of Fe monolayers and membranes embedded in graphene in order to assess their structural stability and magnetization. We demonstrate that monolayer Fe has a larger spin magnetization per atom than bulk Fe and that Fe membranes embedded in graphene exhibit spin magnetization comparable to monolayer Fe. We find that free-standing monolayer Fe is structurally more stable in a triangular lattice compared to both square and honeycomb lattices. This is contradictory to the experimental observation that the embedded Fe membranes form a square lattice. However, we find that embedded Fe membranes in graphene perforations can be more stable in the square lattice configuration compared to the triangular. In addition, we find that the square lattice has a lower edge formation energy, which means that the square Fe lattice may be favored during formation of the membrane.

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“…2(b), removal of C 1 and C 6 atoms requires the lowest energy to create a monovacancy, with E V = 6.13 eV, much lower than that for graphene, e.g., 6.92 eV [70]. The total magnetic moments of the six monovacancy defects are not very different, i.e., about 1.1 µ B per vacancy, smaller than in graphene, i.e., 1.5 µ B per monovacancy [70].…”

Section: Structure and Stabilitymentioning

confidence: 99%

PAI-graphene: a new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones

Chen,

Bouhon,

et al. 2020

Preprint

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Using evolutionary algorithm for crystal structure prediction, we present a new stable two-dimensional (2D) carbon allotrope composed of polymerized as-indacenes (PAI) in a zigzag pattern, namely PAI-graphene whose energy is lower than most of the reported 2D allotropes of graphene. Crucially, the crystal structure realizes a nonsymmorphic layer group that enforces a nontrivial global topology of the band structure with two Dirac cones lying perfectly at the Fermi level. The absence of electron/hole pockets makes PAI-graphene a pristine crystalline topological semimetal having anisotropic Fermi velocities with a high value of 7.0×10 5 m/s. We show that while the semimetallic property of the allotrope is robust against the application of strain, the positions of the Dirac cone and the Fermi velocities can be modified significantly with strain. Moreover, by combining strain along both the x-and y-directions, two band inversions take place at Γ leading to the annihilation of the Dirac nodes demonstrating the possibility of straincontrolled conversion of a topological semimetal into a semiconductor. Finally we formulate the bulk-boundary correspondence of the topological nodal phase in the form of a generalized Zak-phase argument finding a perfect agreement with the topological edge states computed for different edge-terminations.

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

Cited by 18 publications

References 40 publications

Multilayered graphene acquires ferromagnetism in proximity with magnetite particles

Multilayered graphene acquires ferromagnetism in proximity with magnetite particles

Stability and magnetization of free-standing and graphene-embedded iron membranes

PAI-graphene: a new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones

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