Optical properties of 4 Å‐diameter single‐wall nanotubes

Abstract

We studied the electronic band structure and optical absorption of carbon nanotubes with small diameters (d ≈ 4 A), which grow in the channels of a zeolite crystal. The size of the channels determines the diameter of the nanotubes and restricts their possible chiralities to three [(3,3), (5,0), and (4,2)]. We performed ab initio calculations of the electronic band structure and optical absorption of the mentioned nanotubes. We discuss our results and compare them with optical and Raman data.