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Bandstructure and Contact Resistance of Carbon Nanotubes Deformed by the Metal Contact

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 نشر من قبل Vasili Perebeinos
 تاريخ النشر 2018
  مجال البحث فيزياء
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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.



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