Hydrogen-induced magnetism in carbon nanotubes

Ma, Yuchen; Lehtinen, Pekka; Foster, Adam S.; Nieminen, Risto M.

doi:10.1103/physrevb.72.085451

Cited by 62 publications

(64 citation statements)

References 38 publications

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“…Therefore, it is important to study the possible magnetism of graphene to understand magnetism in other carbon allotropes. Nonmagnetic-defect-induced magnetism in graphene has also been reported using first-principles calculations [16][17][18][19][20][21][22][23][24]. We have also studied the problem using a tight-binding model, and also found nonmagnetic-defect-induced magnetism in graphene [22,[26][27][28]31].…”

Section: Introductionmentioning

confidence: 87%

Tight-binding study of nonmagnetic-defect-induced magnetism in graphene

Kumazaki

Hirashima

2008

Low Temperature Physics

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This review describes a study of nonmagnetic-defect-induced magnetism of graphene on the basis of a tight-binding model. A vacancy induces a quasilocalized impurity state at the chemical potential around itself, and it leads to formation of local magnetic moments. Connection between a quasilocalized state around a vacancy and the edge localized states near a zigzag edge is studied in detail. Magnetism associated with many vacancies and edge structures is also reviewed. Some new results of magnetism associated with many vacancies are presented.

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Section: Introductionmentioning

confidence: 87%

Tight-binding study of nonmagnetic-defect-induced magnetism in graphene

Kumazaki

Hirashima

2008

Low Temperature Physics

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“…While the origin of magnetic ordering in such systems is yet to be fully understood, it has been suggested that spin polarization may arise from local structural defects, 33,36,41,53 sterically protected carbon radicals 34 and chemical impurities. 30,40,43 A unique mechanism for spin ordering in graphene based systems is related to the appearance of edge states. [18][19][20][21][22][23][24][25][26][27][28][29]42,[45][46][47][48][49][50][51][52] When cutting a graphene sheet along its zigzag axis to form a narrow and elongated graphene nanoribbon (GNR), distinct electronic states appear, which are localized around the exposed edges.…”

Section: Introductionmentioning

confidence: 99%

Half-Metallic Zigzag Carbon Nanotube Dots

Hod

Scuseria

2008

ACS Nano

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A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized ground state, where opposite spins are localized at the two zigzag edges in a long-range antifferomagnetic configuration. Relative stability analysis of the different spin states indicate that, for the shorter segments, spin-ordering should be present even at room temperature. The energy gap between the highest occupied and the lowest unoccupied molecular orbitals of the finite systems is found to be inversely proportional to the nanotubes segments length, suggesting a route to control their electronic properties. Similar to the case of zigzag graphene nanoribbons, half-metallic behavior is obtained under the influence of an external axial electric field.

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“…9,10 In addition, the hydrogenation treatment of carbon materials can also induce magnetism. [11][12][13] These theoretical studies provide useful theoretical guide for the experimental synthesis of these metal-free magnetic materials, which, however, remain challenging partially due to the difficulties in the controlled growth of these defects.…”

Section: Fluorination-induced Magnetism In Boron Nitride Nanotubes Frmentioning

confidence: 99%