Tubular form of aluminates with metallic conduction: Density-functional calculations

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 ${\mathrm{AlO}}_{2}$, with fewer strain energies compared with ${\mathrm{MoS}}_{2}$ nanotubes with similar diameters. The stability of ${\mathrm{AlO}}_{2}$ 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.