Abstract
Quantum transport calculations are conducted using density functional theory in combination with Green’s functional formalism to study the effect of
external strain on the electronic transport properties of carbyne, 1D carbon allotrope, which has recently received a revival of interest due to its extraordinary
mechanical, thermal and electronic properties. The current in the system increases monotonically by increasing the compressive strain, whereas the tensile
strain results in the reduction of the charge transport. The obtained results are
explained by spatial variations of the electrostatic potential along the carbon
chain and nanoscale localization of the charge carriers. These findings can be
of practical importance for carbyne-based nanotechnology development.
Keywords: carbyne, electronic transport, charge localization
external strain on the electronic transport properties of carbyne, 1D carbon allotrope, which has recently received a revival of interest due to its extraordinary
mechanical, thermal and electronic properties. The current in the system increases monotonically by increasing the compressive strain, whereas the tensile
strain results in the reduction of the charge transport. The obtained results are
explained by spatial variations of the electrostatic potential along the carbon
chain and nanoscale localization of the charge carriers. These findings can be
of practical importance for carbyne-based nanotechnology development.
Keywords: carbyne, electronic transport, charge localization
| Original language | English |
|---|---|
| Journal | Bulletin of National University of Uzbekistan: Mathematics and Natural Sciences |
| Publication status | Published - 8 Aug 2019 |