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transistors
B. Obradovic, R. Kotlyar, F. Heinz, P. Matagne, T. Rakshit et al.
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APPLIED PHYSICS LETTERS 88, 142102 共2006兲
Carbon nanotubes 共CNTs兲 have enjoyed a great deal of formation of edge states in the gap for the zigzag but not the
attention in recent literature, in large part due to their poten- armchair orientation2兲. Thus, the full band structure of the
tial to replace Si as the material of choice for the channel of ribbon is computed, including the effect of the dangling
field-effect transistor 共FET兲 devices. Electron and hole mo- bonds. Both the CNT and CNR are assumed to be infinite
bilities in CNTs have been measured and predicted to be and periodic in the transport direction. Furthermore, interac-
exceedingly high, to the point where CNT-based transistors tions of the carbon atoms with the surrounding environment
can be described as nearly ballistic. While the electronic are neglected.
properties of CNTs are excellent for FET applications, no Qualitatively, the CNR band structure is similar to that
straightforward way exists of patterning even simple CNT- of the CNT 共as shown in Refs. 1 and 2兲, with a band gap that
based circuits. At present, it appears that revolutionary ad- decreases with increasing width of the CNR. However, the
vances in process technology are needed for large-scale in- degeneracy of the nanotube levels is removed, and the “new”
tegration of CNT devices. levels are reduced in energy. This can be qualitatively under-
A promising alternative to CNTs are graphene 共carbon兲 stood by examining the boundary conditions that the electron
nanoribbons 共CNRs兲, which are essentially edge-terminated states of CNTs and CNRs must obey. Since the CNT is a
graphene sheets. The CNRs are expected to have similar periodic structure even in the azimuthal direction, the elec-
electronic properties to CNTs, but they offer the possibility tron states must themselves be azimuthally periodic. This
of lithographic patterning on SiC substrates, potentially solv- forces the electron wave function to have at least one azi-
ing the major obstacle to large-scale integration.1 While vari- muthal node, since the contrary would imply a discontinuity
ous terminations of the graphene sheet are possible, in this in the wave function slope. The CNR has no such restriction,
work we focus on CNRs which are essentially “unrolled” since the electron wave function at the edges of the CNR has
CNTs, oriented in various directions in order to establish no requirement of periodicity. The additional nodes required
desired edge patterns of atoms. If we consider a CNR as in the CNT electron states result in greater wave function
simply an unrolled CNT, we can describe them with a chiral curvature and consequently a higher expectation value of the
vector with indices 共n , m兲, much like CNTs.2,3 We focus pri- kinetic energy. Thus, the CNR structure permits lower energy
modes than the CNT one. This then naturally translates into a
marily on armchair CNRs, which are 共in this work兲 described
smaller band gap, as shown in Fig. 1.
by chiral vectors 共n , 0兲, since they are expected to be semi-
The phonon band structure is calculated using the force-
conducting 共note that this corresponds to zigzag CNTs—
constant dynamic-matrix approach.3 Interactions up to the
unlike CNTs, for CNRs the armchair/zigzag nomenclature
fourth nearest neighbor are included. For the purpose of this
refers to the direction of the edge, not the chiral vector兲.
work, simple boundary conditions are employed in which we
The electron band structures of the CNTs and CNRs are assume no coupling of the CNR atoms to the surrounding
constructed using the tight-binding 共TB兲 approach with the material. A more thorough analysis would require the inclu-
pz orbital basis.2,3 Curvature of the CNTs is neglected. The sion of the complete SiC / SiO2 atomic neighborhood, but as
zone-folding approach is not used. Instead, the complete unit shown in the next paragraph, this does not qualitatively
cell of the CNT/CNR is used to construct the TB Hamil- change the results. Thus, the conditions for computing pho-
tonian, with periodic boundary conditions applied to the edge non dispersion relations are similar to those of nanotubes,
atoms for the case of the nanotubes. In the case of the rib- except for the lack of periodic boundary conditions on the
bons, the edge atoms have dangling bonds 共which lead to the edge atoms 共which are taken to be free from outside forces兲.
As shown in Fig. 2, the resulting phonon dispersion relations
a兲
Electronic mail: mark.stettler@intel.com of CNTs and CNRs are qualitatively similar, though 共as in
FIG. 1. The size dependence of the energy gap of CNRs and CNTs is
shown. The size of the CNR is simply the ribbon width, whereas for the
CNT it is the circumference of the tube. At matched width, CNRs have
significantly smaller band gaps.
FIG. 3. 共Color online兲 The lowest two phonon modes of the 共4,0兲 CNR are
shown. Arrows represent in-plane displacements, the discs represent out-of-
the electron case兲 the degeneracy is lifted, and the transverse
plane displacements. Solid discs are displacements out of the paper and
energy contribution is reduced 共for the same reason as in the open discs displacements into the paper. The size of the discs and length of
electron case, the absence of the requirement of periodicity兲. the arrows indicate relative magnitude.
Also of note is the very similar behavior of the lowest three
modes 共near k = 0兲, which are distinguished by having no
transverse nodes 共for both CNTs and CNRs兲. They represent scattering events, while the latter includes unavailable ones.
three polarizations of modes in which the only spatial varia- A more detailed treatment of the problem should include the
tion of the atomic displacements is along the transport direc- effect of mechanical coupling and momentum transfer to the
tion 共all atoms within a unit cell have the same displacement surrounding Si atoms, but this is not expected to change the
vector, modulo transport-direction-dependent phase factor兲 qualitative results. Since we consider only armchair ribbons,
and are therefore not affected by the presence or absence of no edge states in the gap are present.2 Based on the electron
periodic boundary conditions, as shown in Figs. 3 and 4. As band structure, the expectation is that the CNR mobility is
pointed out in Ref. 4 these are the phonons primarily respon- considerably higher than the corresponding CNT mobility,
sible for the low-field mobility behavior, so the details of the primarily due to the significantly higher group velocity in the
phonon dispersion relations themselves are not expected to CNR. Furthermore, the twofold degeneracy of the lowest
have a dramatic impact on the mobility. electron bands is removed in CNRs, with a multi-kT separa-
Following Refs. 4–6, we calculate the scattering rates tion of bands for small CNRs, thereby reducing the available
from Fermi’s golden rule and the electron-phonon Hamil- scattering density of states 共DOS兲. Both of these effects con-
tonian of Refs. 4 and 6. The overall low-field mobility is spire to produce a higher CNR mobility at matched size/
computed using the Kubo-Greenwood formula, while the chirality 共CNT perimeter= CNR width兲.
high-field mobility and velocity curves are obtained through However, the technologically relevant comparison of
Monte Carlo simulation 共as in Ref. 4兲. The selection rules CNT and CNR mobilities is not at matched size but at
include the forward momentum and energy conservation, as matched band gap. The band gap determines the applicability
well as angular 共transverse兲 momentum in the case of CNTs. of the material to thermionic injection FET devices 共since it
We compute two cases for the CNRs, with and without the determines the parasitic band-to-band tunneling兲, as well as
transverse momentum selection rules, realizing that the the range of threshold voltages available for an ambipolar
“true” value for the scattering rate is somewhere in between device. Due to the significantly smaller band gap of the
the two extremes. The first case eliminates some available CNR, a comparison of mobilities at matched band gap
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142102-3 Obradovic et al. Appl. Phys. Lett. 88, 142102 共2006兲
FIG. 5. Comparison of CNR and CNT mobilities at matched band gap. Due
to the reduced CNR band gap, CNTs have considerably higher mobilities at
matched band gap. Phonon limited electron mobility in silicon under strong
inversion is also shown.
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