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The carbon nanotube chiral vector identifies equivalent sites of graphene that become one point on rolling:The primitive vectors meet at $60^{\circ }$, $b$ is the C–C bond length, and one can choose $0\le m\le n$. The carbon nanotube chiral angle satisfies $\tan \theta =\sqrt{3}m/(2n+m)$. Armchair tubes have $(n,n)$ and $\theta =30^{\circ }$; zigzag tubes have $(n,0)$ and $\theta =0$. Other pairs are chiral, with mirror-related left- and right-handed forms. Armchair and zigzag tubes themselves have mirror symmetry.

The circumferential boundary condition requires $\mathbf{k}\cdot {\mathbf{C}}_h=2\pi \ell$. In nanotube zone folding, an allowed wavevector line intersects one of the Dirac valleys in graphene precisely when $n-m$ is divisible by three. Thus all armchair tubes are metallic in this approximation. Zigzag tubes are metallic for $n$ divisible by three and otherwise semiconducting; general chiral tubes follow the same modular rule. Curvature can open small gaps in nominally metallic non-armchair tubes. Strain, interactions and broken symmetries can modify the ideal result; metallic band structure does not imply zero device resistance.

With the graphene lattice-vector length $a=0.246\mathrm{nm}$, the carbon nanotube chiral vector is ${\mathbf{C}}_h=n{\mathbf{a}}_1+m{\mathbf{a}}_2$. The vectors meet at $60^{\circ }$, givingHere $C$ is circumference, $d$ diameter, and the carbon nanotube chiral angle $\theta$ is measured from the zigzag direction. Nanotube zone folding gives a nominal metallic tube when $n-m\equiv 0(\mathrm{mod}3)$ and a semiconducting tube otherwise. Evaluating all the supplied indices gives the following derived results:All eleven listed tubes are semiconducting in the zone-folding classification. Curvature can open small gaps in some nominally metallic non-armchair tubes, but none of these indices falls in that nominal metallic class.

Diameter gives a useful inverse-size trend in transition energies, and the full chiral indices constrain the electronic band structure much more strongly. They do not by themselves give the perceived solution colour through a simple geometrical rule: one needs the visible absorption spectrum, transition strengths and widths, exciton/environment shifts, concentration, optical path and illumination. The observed transmitted colour is complementary to the absorbed spectrum, not a direct label for the band gap. Structure-assigned excitation–emission measurements provide an experimental connection between chiral structure and optical transitions.^[ref]

Let ${\mathbf{a}}_1,{\mathbf{a}}_2$ be equal-length primitive translation vectors of the graphene lattice, separated by $60^{\circ }$. The carbon nanotube chiral vectoridentifies the two points joined when the sheet is rolled: $|{\mathbf{C}}_h|$ is the circumference, not the tube axis. The right-hand panel of the preceding original diagram shows ${\mathbf{C}}_h=6{\mathbf{a}}_1+6{\mathbf{a}}_2$ and ${\mathbf{C}}_h=7{\mathbf{a}}_1$.

The periodic boundary condition is $\mathbf{k}\cdot {\mathbf{C}}_h=2\pi \ell$, with $\ell$ an integer. Applying it at either Dirac valley gives the nanotube zone folding criterionfor a metallic tube. Thus $(6,6)$ is an armchair metallic example, whereas $(7,0)$ is a zigzag semiconducting example. Other choices with $n-m\not\equiv 0(\mathrm{mod}3)$ also give a semiconducting carbon nanotube.

This criterion is the ideal flat-sheet approximation. Curvature can open a small gap in nominally metallic non-armchair tubes; ideal armchair tubes remain gapless in that approximation. The property is determined by the wrapping vector, not simply by calling a tube “chiral” or by its diameter alone.

A single-walled carbon nanotube confines the electron around its circumference while allowing motion along its axis. Nanotube zone folding therefore turns the graphene bands into one-dimensional subbands. A semiconducting carbon nanotube has no allowed circumferential wave vector through a Dirac valley; a metallic tube has a band crossing at the Fermi energy in the ideal model. Each massive subband edge gives a one-dimensional van Hove singularity in the density of states, and corresponding peaks appear in the joint density of states.

For light polarized along the tube, the main electric-dipole selection rule conserves circumferential angular momentum: transitions connect matching valence and conduction subbands. These finite-energy transitions are conventionally $S_{11},S_{22},\dots$ in a semiconducting carbon nanotube and $M_{11},M_{22},\dots$ in a metallic tube. A metallic band crossing does not make its first strong interband peak have zero energy. Perpendicular polarization admits different angular-momentum channels, often much weaker because of depolarization. Excitons, dielectric screening and trigonal warping modify the simple band-edge transition energies.

Experimentally, measure absorption versus photon energy; Raman spectroscopy becomes resonantly enhanced when the excitation matches an optical transition. A photoluminescence excitation spectrum of dispersed semiconducting tubes correlates excitation near $S_{22}$ with emission near $S_{11}$ after relaxation. Metallic tubes generally lack comparable bright emission because nonradiative relaxation is efficient. Combining optical energies with radial-breathing-mode Raman spectroscopy or electron diffraction assigns tube diameter and roll-up indices; a Kataura plot organizes those assignments.^[ref]

graphene is a two-dimensional honeycomb lattice with two sublattices. Nearest-neighbour hopping gives two bands $E_{\pm }(\mathbf{k})=\pm t|{\sum }_{j=1}^3{e}^{i\mathbf{k}\cdot {\mathbf{\delta }}_j}|$. They touch at two inequivalent valleys. Expanding near valley $\tau =\pm 1$ givesThe two-component spinor describes sublattice amplitudes, not real spin. This is a massless two-dimensional Dirac Hamiltonian with material velocity $v_F$ in place of $c$. The emergent band quasiparticles are relativistic in this mathematical sense; the electron's vacuum rest mass is not set to zero. Real spin and valley each contribute a degeneracy of two in the ideal low-energy model.

A single-walled carbon nanotube is a rolled graphene sheet with carbon nanotube chiral vector ${\mathbf{C}}_h=n{\mathbf{a}}_1+m{\mathbf{a}}_2$. Periodicity requires $\mathbf{k}\cdot {\mathbf{C}}_h=2\pi \ell$, selecting lines through graphene momentum space and producing one-dimensional transverse electronic modes. Near a valley,A quantization line through one of the Dirac valleys in graphene gives a metallic branch; ideal nanotube zone folding gives the criterion $n-m\equiv 0(\mathrm{mod}3)$. Otherwise the nearest line misses the valley and opens $E_g=2\hslash v_F|q_{\perp }|$. The transverse momentum gives a carbon-nanotube Dirac mass, with $m_{\mathrm{eff}}=\hslash |q_{\perp }|/v_F$. For a large-radius ideal semiconducting tube, $|q_{\perp }|\simeq 2/(3d)$ and $E_g\simeq 4\hslash v_F/(3d)$, showing the inverse-diameter gap. Curvature, strain, spin-orbit coupling and interactions can change the simple classification; nominally metallic non-armchair tubes can acquire small gaps. One-dimensional transverse electronic mode thresholds give Van Hove singularities, unlike graphene's low-energy density of states proportional to $|E|$.

A gate changes occupation and the Fermi level in both systems. Ideal monolayer graphene can be tuned through charge neutrality from holes to electrons, but an ordinary scalar gate does not open a bulk band gap. Including spin and valley,The gate relation includes geometric and quantum capacitances, so one should not equate gate voltage to Fermi energy without the capacitance model. A semiconducting carbon nanotube can instead be depleted when its Fermi level lies in a gap and turned on in electron or hole bands. Contact Schottky barriers can strongly influence the observed nanotube field effect. A truly gapless ideal metallic tube cannot be switched off simply by moving the Fermi level through its band crossing. These gate responses reflect band structure and contacts, not a change of wrapping indices.

In ideal nanotube zone folding, a single-walled carbon nanotube with indices $(n,m)$ satisfying $n-m\not\equiv 0(\mathrm{mod}3)$. Circumferential quantization misses the Dirac valleys in graphene, opening a band gap.