Comment on “Structural and Electronic Properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>Graphene: A Two-Dimensional Carbon Allotrope with Tetrarings”

Kim, Bog G.; Jo, Jun Young; Sim, Hyo-Seob

doi:10.1103/physrevlett.110.029601

Cited by 24 publications

(18 citation statements)

References 7 publications

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“…When the bands are folded, the symmetry point X will coincide with Γ in the BZ of T graphene supercell (figure1 (d)). It should be emphasized that the present folded band for the supercell (figure 1(c)) were essentially analogous to those calculated from buckled T graphene [3,5,6]. It can be clearly seen that there are two crossing points of bands appearing at the Fermi surface, showing the artificial Dirac points in the figure 1(c) (where the 'Dirac points' came from the band folding).…”

Section: Resultssupporting

confidence: 76%

“…There was a spontaneous structural transformation from the buckled T graphene to the planar T graphene. The equilibrium lattice constant in their calculations [3] is∼4.875 Å, which is in consistent with the previous calculation [1]. However, height difference (Δz) of the fully relaxed buckled T graphene is only∼0.0002 Å.…”

Section: Introductionsupporting

confidence: 84%

“…The buckled T graphene turned out to have Dirac-like fermions and high Fermi velocity similar to those of graphene. However, Kim et al [3], based on their first-principles calculations, argued that the buckled T graphene did not Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence.…”

Section: Introductionmentioning

confidence: 99%

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Structural and electronic properties of T graphene nanotubes: a first-principles study

Zhang

et al. 2019

New J. Phys.

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An allotrope of graphene named T graphene was reported to reveal Dirac-like fermions and high Fermi velocity in its buckled phase similar to graphene. However, these Dirac fermions were questioned to be artificial, caused by band folding under the unstable buckling in T graphene. Here, we report first-principles studies on the structural and electronic properties of T graphene nanotubes which are systems rolled up from the two-dimensional planar sheet of T graphene. The 'artificial' Dirac fermions in T graphene are turned into reality in the T graphene nanotubes. Two sets of T graphene nanotubes with different diameters were studied. One set of T graphene nanotubes reveals a semi-metallic property and shows an increasing of the number of Dirac points with the diameters. Another set of T graphene nanotubes reveals a metallic property. Our study indicates that rolling up the allotrope of graphene can provide a new avenue for developing new semimetal materials with fascinating properties.

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Section: Resultssupporting

confidence: 76%

Section: Introductionsupporting

confidence: 84%

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Structural and electronic properties of T graphene nanotubes: a first-principles study

Zhang

et al. 2019

New J. Phys.

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“…For T-graphene, the averaged out-of-plane displacement of 0.048 Å confirms that its geometry is planar, which is in agreement with the judgment from quantum MD simulations. 30 It is noted that pentagraphene has an intrinsic out-of-plane buckling distance of 0.48 Å in our simulation. By excluding the effect of intrinsic buckling, pentagraphene has the smallest thermal rippling amplitude (around 0.001 Å).…”

Section: Resultsmentioning

confidence: 61%

Morphology-Controlled Tensile Mechanical Characteristics in Graphene Allotropes

et al. 2017

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A number of graphene allotropes constructed by sp 3 , sp 2 , and sp hybrid orbitals have recently been proposed to provide the broad potential for practical applications. Here, using molecular dynamics simulation, the structural and tensile characteristics of nine distinct graphene allotropes have been investigated to understand their morphology-controlled mechanical properties. Results show that the averaged out-of-plane displacement is independent of nonhexagons while being dominated by the arrangement of carbon polygons on the sheets. Each sheet possesses unique surface morphology and in-plane tensile properties that significantly vary with morphology and anisotropic crystalline orientation. Brittle, semibrittle, or ductile failure is observed, depending on the evolution of their packed polygons in facilitating tension deformation and in dissipating energy. Particularly, pentagraphene exhibits superductility as a consequence of large-scale structural transformations, accommodating stress relaxation beyond initial failure. Two distinct plastic deformation patterns in overstretched pentagraphene are uncovered, depending on the tension directions: one is dominated by structural transition from sp 3 -carbon-contained penta-(C 5 ) to mixed sp 2 -carbon polygons and the other is mainly controlled by a stepwise pentagon-to-hexagon transition. These findings provide physical insights into the structural evolvement of two-dimensional graphene allotropes and their effects on the mechanical properties.

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“…Liu et al demonstrate that planar and buckled T graphene can be energetically metastable and dynamically stable [10]. Kim et al [11] show that the buckled T graphene is not a stable form as Liu et al [10] suggested and the fully relaxed buckled T graphene can not be distinguishable with planar T graphene. Huang et al found that both forms of T graphene are normal metals [12].…”

Section: Introductionmentioning

confidence: 96%

Electronic properties of T graphene-like C–BN sheets: A density functional theory study

Majidi

2015

Physica E: Low-dimensional Systems and Nanostructures

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Comment on “Structural and Electronic Properties ofTGraphene: A Two-Dimensional Carbon Allotrope with Tetrarings”

Cited by 24 publications

References 7 publications

Structural and electronic properties of T graphene nanotubes: a first-principles study

Structural and electronic properties of T graphene nanotubes: a first-principles study

Morphology-Controlled Tensile Mechanical Characteristics in Graphene Allotropes

Electronic properties of T graphene-like C–BN sheets: A density functional theory study

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