Electronic and structural properties of carbon nanotubes

Mintmire, J. W.; White, C. T.

doi:10.1016/0008-6223(95)00018-9

Cited by 334 publications

(180 citation statements)

References 43 publications

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“…Several atomistic, 6,7,38 tight-binding, 9 and ab initio [39][40][41][42][43][44] calculations have been performed for the strain energy of inflated SWNTs with a circular cross section, which is the key quantity in the present theory. These calculations have indicated that the strain energy per atom is closely proportional to the inverse square of tube diameter, D, in a wide range of D and insensitive to chirality of tube.…”

Section: Methods To Calculate Deformation Energymentioning

confidence: 99%

Radial deformation and stability of single-wall carbon nanotubes under hydrostatic pressure

Hasegawa

Nishidate

2006

Phys. Rev. B

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In this paper we have developed a theory of energetics for isolated single-wall carbon nanotubes ͑SWNTs͒ deformed in the radial direction, and applied this theory to investigate their deformation characteristics and stability under hydrostatic pressure. The starting point of the theory is the strain energy of SWNTs predicted by ab initio calculations based on the density functional theory ͑DFT͒, which shows the same behavior as that obtained for the continuum elastic shell model. We extend this result for inflated SWNTs with circular cross section to calculate the deformation energy of a deformed SWNT without performing further DFT calculations. This extension is then complemented by a van der Waals interaction, which is not fully taken into account in the DFT approximations currently in use but becomes important in highly deformed tubes. We find that the minimum pressure, P 1 , for the radial deformation to occur is proportional to the inverse cube of tube diameter, D, in agreement with the recent theoretical predictions as well as the classical theory of buckling. The radial deformation of SWNTs with D Ͻ 2.5 nm is found to be elastic up to very high pressure and they hardly collapse. On the other hand, SWNTs with D Ͼ 2.5 nm show a plastic deformation and collapse if the applied hydrostatic pressure exceeds a critical value, which is about 30-40% higher than P 1 and also varies as D −3 though approximately. These SWNTs with large D collapse when the cross-sectional area is about 60% reduced with respect to the circular one. It is also found that for SWNTs with D Ͼ 7.0 nm, the plastically deformed ͑collapsed͒ state is more stable than the inflated one. This critical value of D is somewhat larger than previously predicted.

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Section: Methods To Calculate Deformation Energymentioning

confidence: 99%

Radial deformation and stability of single-wall carbon nanotubes under hydrostatic pressure

Hasegawa

Nishidate

2006

Phys. Rev. B

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“…2 /h = 1/(12.9 kΩ) [9][10][11][12]. This logically should be a lower conductance bound for multiwalled nanotubes.…”

Section: Introductionmentioning

confidence: 94%

Conductance quantization in multiwalled carbon nanotubes

Poncharal

Frank

Wang

et al. 1999

The European Physical Journal D

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Abstract. We present results of carbon nanotube conductance measurements. The experiments were performed using an scanning probe microscope (SPM) system where a carbon nanotube fiber is connected to the SPM tip and then lowered into a liquid mercury contact. Experiments were also performed using a modified transmission electron microscope (TEM) specimen holder supplied with piezo and micrometer positioning system. Thus the contacting process of the nanotubes with the mercury could be monitored while simultaneously recording the conductance. These measurements and observations confirm previously reported conductance quantization (Frank et al.: Science 280, 1744) of the nanotubes while providing additional details concerning the mercury nanotube contacts. We also report conductance versus voltage characteristics of carbon nanotubes.

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“…Previous studies have confirmed the sensitivity of the CNT's band-gap to both d and θ, where several theoretical and analytical models have been established to simulate their electronic band-structure [23,24,[26][27][28][29][30]. Amongst the commonly used band models are the nearest-neighbor TightBinding (TB) approach with zone-folding [23,24,[26][27][28], the Extended Hückel Theoretical (EHT) technique [29] and Firstprinciple ab-initio calculations [23,30].…”

Section: Review Of Swcnt Electronic Propertiesmentioning

confidence: 97%

“…A Single-Walled Carbon Nanotube (SWCNT) is a selfassembled hollow cylinder constructed from a rolled-up sheet of graphene [23]. The tube can be uniquely defined by a rollup vector known as the chiral vector, C h , which can be expressed in terms of the primitive unit vectors a 1 and a 2 of the graphene lattice [24]:…”

Section: Review Of Swcnt Electronic Propertiesmentioning

confidence: 99%

Modeling SWCNT Bandgap and Effective Mass Variation Using a Monte Carlo Approach

Shabrawy

Maharatna

Bagnall

et al. 2010

IEEE Trans. Nanotechnology

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Abstract-SynthesizingSingle-Walled Carbon-Nanotubes (SWCNTs) with accurate structural control has been widely acknowledged as an exceedingly complex task culminating in the realization of CNT devices with uncertain electronic behavior. In this paper we apply a statistical approach in predicting the SWCNT band-gap and effective mass variation for typical uncertainties associated with the geometrical structure. This is firstly carried out by proposing a simulation-efficient analytical model that evaluates the band-gap (Eg) of an isolated SWCNT with a specified diameter (d) and chirality (θ). Similarly, we develop a SWCNT effective mass model, which is applicable to CNTs of any chirality and diameters > 1nm. A Monte Carlo method is later adopted to simulate the band-gap and effective mass variation for a selection of structural parameter distributions. As a result, we establish analytical expressions that separately specify the band-gap and effective mass variability (Eg σ , m* σ ) with respect to the CNT mean diameter (d µ ) and standard deviation (d σ ). These expressions offer insight from a theoretical perspective on the optimization of diameter-related process parameters with the aim of suppressing band-gap and effective mass variation.Index Terms-Single Walled Carbon Nanotube (SWCNT), Third-Nearest-Neighbor Tight-Binding (TB) model, Band-gap variation, Effective mass variation, CNT device models.I. INTRODUCTION ARBON NANOTUBES (CNTs) possess distinctive electronic properties that make them ideal candidates for next generation on-chip devices and interconnects [1][2][3][4]. Unlike other nanoscale materials, they can remarkably exhibit semiconducting (Eg > 0) or metallic (Eg = 0) behavior depending on their geometrical structure, which consists of the diameter (d) and chirality (θ) [5]. At present, the fabrication of CNTs with accurate diameter and chirality control is a serious challenge and as a result a large band-gap (Eg) variability is

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Electronic and structural properties of carbon nanotubes

Cited by 334 publications

References 43 publications

Radial deformation and stability of single-wall carbon nanotubes under hydrostatic pressure

Radial deformation and stability of single-wall carbon nanotubes under hydrostatic pressure

Conductance quantization in multiwalled carbon nanotubes

Modeling SWCNT Bandgap and Effective Mass Variation Using a Monte Carlo Approach

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