Magnetism in All-Carbon Nanostructures with Negative Gaussian Curvature

Park, Noejung; Yoon, Mina; Berber, Savaş; Ihm, Jisoon; Ōsawa, Eiji; Tománek, David

doi:10.1103/physrevlett.91.237204

Cited by 214 publications

(156 citation statements)

References 29 publications

Supporting

Mentioning

151

Contrasting

Order By: Relevance

“…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.…”

Section: Introductionmentioning

confidence: 99%

Half-Metallic Zigzag Carbon Nanotube Dots

Hod

Scuseria

2008

ACS Nano

View full text Add to dashboard Cite

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.

show abstract

Section: Introductionmentioning

confidence: 99%

Half-Metallic Zigzag Carbon Nanotube Dots

Hod

Scuseria

2008

ACS Nano

View full text Add to dashboard Cite

show abstract

“…10 First-principles calculations of the magnetic properties of finite zigzag SWNTs have been performed as a function of their radius and length, 19,20 and those calculations have shown the importance of the localized edge states on the magnetism of the finite nanotubes. Further spin-polarized DFT calculations of the magnetic properties of carbon nanostructures have shown not only the relevance of the edge states located at the undercoordinated carbon atoms of the zigzag boundaries 21,22 but also the influence of stabilized radicals formed by trivalent carbons, introduced within the aromatic system of the otherwise sp 2 -bonded tetravalent carbon atoms in producing unpaired spins in the electronic ground state. 22 The results of the present work indicate that finite pieces of zigzag single-walled carbon nanotubes behave as half-metallic systems under the influence of an electric field.…”

Section: Introductionmentioning

confidence: 99%

“…Further spin-polarized DFT calculations of the magnetic properties of carbon nanostructures have shown not only the relevance of the edge states located at the undercoordinated carbon atoms of the zigzag boundaries 21,22 but also the influence of stabilized radicals formed by trivalent carbons, introduced within the aromatic system of the otherwise sp 2 -bonded tetravalent carbon atoms in producing unpaired spins in the electronic ground state. 22 The results of the present work indicate that finite pieces of zigzag single-walled carbon nanotubes behave as half-metallic systems under the influence of an electric field. Using DFT we have studied finite pieces of a zigzag ͑14,0͒ SWNT, focusing attention on the evolution of the electronic gap of the two spin flavors as a function of the intensity of an external electric field applied along the axis of the nanotube.…”

Section: Introductionmentioning

confidence: 99%

Half-metallic finite zigzag single-walled carbon nanotubes from first principles

et al. 2008

View full text Add to dashboard Cite

Density-functional calculations predict half-metallicity in zigzag single-walled carbon nanotubes of finite length with the two ends saturated with hydrogen. We have analyzed the change of the ␣-and ␤-spin electronic gaps under the influence of an electric field applied along the nanotube axis. The half-metallic behavior, in which the electronic gap is zero for one spin flavor and nonzero for the other, is obtained for a critical electric field of 3.0/ w V / Å, where w is the length of the nanotube. This critical field is the same as that predicted for graphene nanoribbons. By a detailed analysis of the spin structure of the ground state, we show the relevance of the edge states, electronic states spatially localized at the carbon atoms of the nanotube boundaries, on the on-set of half-metallicity, and on the magnetic properties of the finite semiconducting zigzag nanotubes.

show abstract

“…3 The origin of magnetism in these materials is still an open question. Theoretically, dangling bonds associated with the defects, [4][5][6] states localized on edge-carbon atoms, 7,8 and negative Gaussian curvature 9 have been considered as the possible origins of magnetism.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen-induced magnetism in carbon nanotubes

Lehtinen

Foster

et al. 2005

Phys. Rev. B

View full text Add to dashboard Cite

Spin-polarized density functional theory is used to investigate hydrogen-induced magnetism in single-walled carbon nanotubes ͑SWNTs͒. Hydrogen trapped at a carbon vacancy can trigger delocalized electron spin polarization on semiconducting zigzag SWNTs. Hydrogen pinned by a carbon adatom on the surface of the SWNT can induce spin polarization localized at the carbon adatom, independent of the diameter and chirality of the tube.

show abstract

Magnetism in All-Carbon Nanostructures with Negative Gaussian Curvature

Cited by 214 publications

References 29 publications

Half-Metallic Zigzag Carbon Nanotube Dots

Half-Metallic Zigzag Carbon Nanotube Dots

Half-metallic finite zigzag single-walled carbon nanotubes from first principles

Hydrogen-induced magnetism in carbon nanotubes

Contact Info

Product

Resources

About