Bandstructure and Contact Resistance of Carbon Nanotubes Deformed by the Metal Contact
arXiv:1801.04294 · doi:10.1103/PhysRevLett.119.207701
Abstract
Capillary and van der Waals forces cause nanotubes to deform or even collapse under metal contacts. Using ab-initio bandstructure calculations, we find that these deformations reduce the bandgap by as much as 30\%, while fully collapsed nanotubes become metallic. Moreover degeneracy lifting, due to the broken axial symmetry and wavefunctions mismatch between the fully collapsed and the round portions of a CNT, leads to a three times higher contact resistance. The latter we demonstrate by contact resistance calculations within the tight-binding approach.
arXiv comment5 pages, 6 figures
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