Abstract
Based on first-principles theoretical calculations, we propose a tubular structure of aluminates, which exhibit metallic conduction and are energetically stable in the form of , with fewer strain energies compared with nanotubes with similar diameters. The stability of nanotubes is also maintained with Li doping inside the tube cavity. For zigzag nanotubes with small diameters, more electron conduction occurs through the outer O shell with longer Al-O bonds, while the whole tube wall contributes to electron conduction for large diameter tubes or armchair tubes, which have similar inner and outer Al-O bond lengths. We suggest that conducting aluminate nanotubes can be promising materials for nanoscale electronic devices.
- Received 22 May 2005
DOI:https://doi.org/10.1103/PhysRevB.72.205435
©2005 American Physical Society