Electronic spectral shift of oxygen-filled (6, 6) carbon nanotubes

Electronic state modulation of armchair (6, 6) carbon nanotubes filled with a linear assembly of oxygen molecules is addressed theoretically. Ferromagnetic ordering of encapsulated oxygen produces a magnetic field with cylindrical symmetry, which deviates the electron’s eigenenergies from those prior to the oxygen absorption. An intriguing spectral gap arises near the Fermi energy, at which the gap formation is allowed only when the tube length equals to a multiple of three in units of carbon hexagon. A possible means to detect the selective gap formation is discussed.