We study the electronic band structure of several carbon nanotube superlattices built of two kinds of intermolecular junctions: (12, 0)/(6, 6) and (8, 0)/(14, 0). In particular, we focus on the energy bands originating from interface states. We find that in case of the metallic (12, 0)/(6, 6) superlattices, the interface bands change periodically their character from bonding‐ to antibonding‐like vs. increasing length of the (6, 6) tube.
We show that these changes are related to the decay of the charge density Friedel oscillations in the metallic (6, 6) tube. However, when we explore other chiralities without rotational symmetry, no changes in bondingantibonding character are observed for semiconductor superlattices, as exemplified in the case of (8, 0)/(14, 0) superlattices. Our results indicate that unless metallic tubes are employed in the junctions, the bondingantibonding crossings are not present (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)