Electronic Structure of Semiconducting Nanotubes Adsorbed on Metal Surfaces

摘要: A total-energy electronic-structure calculation is performed to explore energetics and electronic structures of nanotubes adsorbed on metal surfaces. We find that the charge transfer from surfaces takes place depending both work functions In addition, we also a substantial hybridization between electron states atoms those nanotubes, which results in metal-induced inhomoge- neous distribution nanotubes. The purpose this Letter unravel interplay tube-origin surface-origin determining stability properties at- tached here take semiconducting 10; 0 nanotube considered be structural model contact electrodes. For surfaces, consider aluminum (100) calcium elucidate salient characteristics these hybrid struc- tures. have found nanotube-metal strongly depend spe- cies. It contrast conventional semiconductor-metal contacts Fermi level virtually pinned due intrinsic interface such as gap states, causing band lineup two materials insensi- tive species. More specifically, energy-minimized geometries located just below bottom theband Al(100) while crosses severalbands Ca(100) indicating Ca sur- faces nanotube. calculated number electrons transferred 5:2 10 6 cm 1 . dis- tribute side tube compared with opposite side, resulting mixing tube- origin metal-origin states. Such hybridiza-