4.6 Article

Anomalous screening in narrow-gap carbon nanotubes

Journal

PHYSICAL REVIEW B
Volume 105, Issue 19, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.105.195404

Keywords

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Funding

  1. MAterials design at the eXascale (MaX) European Center of Excellence - European Union H2020-INFRAEDI-2018-1 program [824143]
  2. Italian national program PRIN2017 [2017BZPKSZ]

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The screening of Coulomb interaction plays a crucial role in controlling many-body physics in carbon nanotubes. Different types of tubes exhibit different effects of the Coulomb interaction, which can be evaluated by computing the dielectric function. The standard effective-mass model may underestimate the interaction strength at long wavelengths and miss important interactions.
The screening of Coulomb interaction controls many-body physics in carbon nanotubes, as it tunes the range and strength of the force that acts on charge carriers and binds electron-hole pairs into excitons. In doped tubes, the effective Coulomb interaction drives the competition between Luttinger liquid and Wigner crystal, whereas in undoped narrow-gap tubes it dictates the Mott or excitonic nature of the correlated insulator observed at low temperature. Here, by computing the dielectric function of selected narrow-and zero-gap tubes from first principles, we show that the standard effective-mass model of screening systematically underestimates the interaction strength at long wavelength, hence missing the binding of low-energy excitons. The reason is that the model critically lacks the full three-dimensional topology of the tube, being adapted from graphene theory. As ab inito calculations are limited to small tubes, we develop a two-band model dielectric function based on the plane-wave expansion of Bloch states and the exact truncated Coulomb cutoff technique. We demonstrate that our???computationally cheap???approach provides the correct screening for narrow-gap tubes of any size and chirality. A striking result is that the screened interaction remains long-ranged even in gapless tubes, as an effect of the microscopic local fields generated by the electrons moving on the curved tube surface. As an application, we show that the effective electron-electron force that is felt at distances relevant to quantum transport experiments is super Coulombic.

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